SCHEMBL8858322

SCHEMBL8858322

COc1cccc2c1OC(C(=O)Cl)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.45
MTNR1B P49286 8/20 0.45
PIN1 Q13526 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
LDHA P00338 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
EPHX2 P34913 1/20 0.39

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
SCHEMBL7552930 0.87 LTB4R (0.47) MTNR1AMTNR1BPIN1CA1CA2
SCHEMBL7557806 0.87 LTB4R (0.47) MTNR1AMTNR1BPIN1CA1CA2
SCHEMBL7552940 0.87 LTB4R (0.47) MTNR1AMTNR1BPIN1CA1CA2
Hydrochloric Acid SCHEMBL8858324 0.86 LTB4R (0.47) MTNR1AMTNR1BPIN1CA1CA2
SCHEMBL13534458 0.82 MTNR1A (0.42) MTNR1AMTNR1BDRD2DRD3CHRM2
SCHEMBL7314503 0.82 TDP1 (0.56) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL9040773 0.81 MTNR1A (0.43) MTNR1AMTNR1BPIN1CA1CA2
SCHEMBL9379902 0.77 MTNR1A (0.45) MTNR1AMTNR1BPIN1CA1CA2
SCHEMBL7111930 0.76 DRD2 (0.46) MTNR1AMTNR1BDRD2DRD3CHRM2
SCHEMBL9371775 0.75 SMN1; SMN2 (0.49) MTNR1AMTNR1BCA1CA2LDHA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5696137-A TREATING DISEASES OF CENTRAL NERVOUS SYSTEM BAYER AKTIENGESELLSCHAFT (DE) 1997-12-09 US disclosed
US-5696136-A TREATING DISEASES OF CENTRAL NERVOUS SYSTEM BAYER AKTIENGESELLSCHAFT (DE) 1997-12-09 US disclosed
US-5693653-A ADMINISTERING AN ANTIDEPRESSANTS BAYER AKTIENGESELLSCHAFT (DE) 1997-12-02 US disclosed
US-5585392-A TREATING OR PREVENTING STROKES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-17 US disclosed
US-5545643-A USEFUL FOR TREATING DISEASES OF CENTRAL NERVOUS SYSTEM BAYER AKTIENGESELLSCHAFT (DE) 1996-08-13 US disclosed
US-5506246-A Method for treating depression using substituted aminomethyltetralins and their heterocyclic analogues BAYER AKTIENGESELLSCHAFT (DE) 1996-04-09 US disclosed
US-5371094-A Azaheterocyclylmethyl-chromans for treating axiety BAYER AKTIENGESELLSCHAFT (DE) 1994-12-06 US disclosed
US-5300523-A Binding serotonin receptors, treating nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
US-5137901-A For binding 5-HT 1 receptors; treating central nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed