SCHEMBL8085146

SCHEMBL8085146

CN1CCc2ccc(O)cc2C(c2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 16/20 1.00
HTR2A P28223 3/20 1.00
HSD17B10 Q99714 4/20 0.73
THPO P40225 2/20 0.73
MAPK1 P28482 2/20 0.73
HIF1A Q16665 1/20 0.73
MTOR P42345 1/20 0.73
DRD2 P14416 4/20 0.71
KDM4E B2RXH2 1/20 0.71
MAPT P10636 1/20 0.71
BLM P54132 1/20 0.71
PMP22 Q01453 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
DRD5 P21918 4/20 0.67
CYP1A2 P05177 3/20 0.67
CYP2D6 P10635 3/20 0.67
TSHR P16473 3/20 0.67
CYP3A4 P08684 1/20 0.67
NFKB1 P19838 1/20 0.67
CYP2C19 P33261 1/20 0.67

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
SCHEMBL9838068 1.00 DRD1 (1.00) DRD1HTR2AHSD17B10THPOMAPK1
SCHEMBL14533569 0.89 DRD1 (0.80) DRD1HTR2AHSD17B10THPOMAPK1
SCHEMBL16508939 0.86 DRD1 (0.76) DRD1HTR2AHSD17B10THPOMAPK1
SCHEMBL11712694 0.84 DRD1 (1.00) DRD1HTR2AHSD17B10THPOMAPK1
SCHEMBL7919382 0.84 DRD1 (0.72) DRD1HTR2AHSD17B10THPOMAPK1
SCHEMBL10934400 0.83 DRD1 (1.00) DRD1HTR2AHSD17B10THPOMAPK1
Bromide SCHEMBL11707024 0.83 KDM4E (1.00) DRD1HTR2AHSD17B10THPOMAPK1
SCHEMBL7919555 0.83 DRD1 (0.71) DRD1HTR2AHSD17B10THPOMAPK1
SCHEMBL8184939 0.83 DRD1 (0.70) DRD1HTR2AHSD17B10THPOMAPK1
SCHEMBL7919454 0.83 DRD1 (0.70) DRD1HTR2AHSD17B10THPOMAPK1

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-4749559-A Method for detecting melanin-containing matter UNITED STATES OF AMERICA (US) 1988-06-07 US claimed
US-6022526-A CONTACTING PATIENT'S BLOOD, URINE OR PLASMA SAMPLE AND DETERMINING BINDING OF TEXAPHYRIN WITH MELANIN OR A MELANIN METABOLITE; WHERE BINDING DEMONSTRATES THE PRESENCE OF MELANIN OR A METABOLITE IN THE TEST SUBJECT PHARMACYCLICS, INC. (US) 2000-02-08 US disclosed
WO-1999006074-A1 USE OF TEXAPHYRINS IN DETECTION OF MELANIN AND MELANIN METABOLITES OF MELANOTIC MELANOMA PHARMACYCLICS, INC. (US) 1999-02-11 WO disclosed
US-5025009-A Treatment of central nervous system disorders; bioavailability NOVO NORDISK A/S (DK) 1991-06-18 US disclosed
US-5010074-A Treating CNS disorders; dopamine antagonist; bioavailability NOVO NORDISK A/S (DK) 1991-04-23 US disclosed
EP-0347672-A1 Benzazepine derivatives NOVO NORDISK A/S (DK) 1989-12-27 EP disclosed
US-4749559-A Method for detecting melanin-containing matter UNITED STATES OF AMERICA (US) 1988-06-07 US disclosed
US-4749559-A Method for detecting melanin-containing matter UNITED STATES OF AMERICA (US) 1988-06-07 US disclosed
US-4349472-A NEUROLEPTIC, ANTIDEPRESSANTS, SEDATIVES SCHERING CORPORATION (US) 1982-09-14 US disclosed