SCHEMBL4372391

SCHEMBL4372391

O[C@@H]1CCc2c(F)cc(F)cc2C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.36
DRD2 P14416 3/20 0.35
DRD3 P35462 3/20 0.35
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
HCAR2 Q8TDS4 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
LOX P28300 1/20 0.32
EPAS1 Q99814 1/20 0.31
IDO1 P14902 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6952511 1.00 TRPV1 (0.36) TRPV1DRD2DRD3HTR1AHTR7
SCHEMBL29365060 1.00 TRPV1 (0.36) TRPV1DRD2DRD3HTR1AHTR7
SCHEMBL3424340 1.00 TRPV1 (0.36) TRPV1DRD2DRD3HTR1AHTR7
SCHEMBL29365669 1.00 TRPV1 (0.36) TRPV1DRD2DRD3HTR1AHTR7
SCHEMBL8611416 0.89 TRPV1 (0.33) TRPV1DRD2DRD3HCAR2MAOA
SCHEMBL8615203 0.87 TRPV1 (0.34) TRPV1DRD2DRD3HTR1AHTR7
SCHEMBL6957852 0.85 TRPV1 (0.41) TRPV1HTR1AHTR7HCAR2CYP1A2
SCHEMBL6958627 0.85 TRPV1 (0.41) TRPV1HTR1AHTR7HCAR2CYP1A2
SCHEMBL8613526 0.82 EPAS1 (0.33) TRPV1HCAR2MAOAMAOBLOX
SCHEMBL19266090 0.78 DRD2 (0.39) DRD2DRD3HTR1AHTR7MAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113981013-B Biocatalysis preparation method of chiral tetrahydronaphthalene-2-alcohol compound 上海升华医药科技有限公司 2024-02-20 CN claimed
CN-113981013-A Biocatalytic preparation method of chiral tetrahydronaphthalene-2-alcohol compound 寰酶生物技术(上海)有限公司 2022-01-28 CN claimed
CN-111018663-A Nepitastat important intermediate and enzyme catalytic synthesis method thereof 苏州凯瑞医药科技有限公司 2020-04-17 CN claimed
CN-113981013-B Biocatalysis preparation method of chiral tetrahydronaphthalene-2-alcohol compound 上海升华医药科技有限公司 2024-02-20 CN disclosed
CN-113981013-B Biocatalysis preparation method of chiral tetrahydronaphthalene-2-alcohol compound 上海升华医药科技有限公司 2024-02-20 CN disclosed
CN-116063186-A Process and intermediates for the preparation of (S) -2-amino-5, 7-difluoro-1, 2,3, 4-tetrahydronaphthalene hydrogen halides 江苏亚虹医药科技股份有限公司 2023-05-05 CN disclosed
CN-113981013-A Biocatalytic preparation method of chiral tetrahydronaphthalene-2-alcohol compound 寰酶生物技术(上海)有限公司 2022-01-28 CN disclosed
CN-113981013-A Biocatalytic preparation method of chiral tetrahydronaphthalene-2-alcohol compound 寰酶生物技术(上海)有限公司 2022-01-28 CN disclosed
US-20200383951-A1 METHODS FOR TREATING DEPENDENCE BIOTIE THERAPIES INC (US) 2020-12-10 US disclosed
CN-111018663-A Nepitastat important intermediate and enzyme catalytic synthesis method thereof 苏州凯瑞医药科技有限公司 2020-04-17 CN disclosed
CN-111018663-A Nepitastat important intermediate and enzyme catalytic synthesis method thereof 苏州凯瑞医药科技有限公司 2020-04-17 CN disclosed
EP-2182804-B1 METHODS FOR TREATING DEPENDENCE BIOTIE THERAPIES INC (US) 2017-05-24 EP disclosed
US-20140099336-A1 Methods for Treating Dependence BIOTIE THERAPIES, INC. (US) 2014-04-10 US disclosed
US-20090054403-A1 Treatment of Post-Traumatic Stress Disorder SYNOSIA THERAPEUTICS (US) 2009-02-26 US disclosed
US-20090041800-A1 Methods for Treating Dependence SYNOSIA THERAPEUTICS, INC. (US) 2009-02-12 US disclosed
EP-0757677-B1 BENZOCYCLOHEXYLIMIDAZOLETHIONE DERIVATIVES SYNTEX LLC (US) 2003-06-18 EP disclosed
US-5719280-A REACTING AMINE SUBSTITUTED BENZOCYCLOALKANE WITH DIALKYLOXYACETALDEHYDE IN PRESENCE OF REDUCING AGENT OR CATALYTIC HYDROGENATION, TREATING WITH THIOCYANIC ACID SYNTEX (U.S.A.) INC. (US) 1998-02-17 US disclosed
EP-0757677-A1 BENZOCYCLOALKYLAZOLETHIONE DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1997-02-12 EP disclosed
US-5538988-A CARDIOVASCULAR DISORDERS AND DOPAMINE HYDROLASE ENZYME INHIBITORS SYNTEX (U.S.A.) INC. 1996-07-23 US disclosed
WO-1995029165-A2 BENZOCYCLOALKYLAZ0LETHIONE DERIVATIVES AS DOPAMIN BETA-HYDROXYLASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1995-11-02 WO disclosed