SCHEMBL8946487

SCHEMBL8946487

COc1ccc2c(c1)C1c3ccccc3NC1C2

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.46
OPRM1 P35372 3/20 0.44
OPRD1 P41143 2/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
OPRK1 P41145 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
SCHEMBL8946481 1.00 HTR2A (0.46) HTR2AOPRM1OPRD1ALDH1A1NPC1
SCHEMBL8946471 1.00 HTR2A (0.46) HTR2AOPRM1OPRD1ALDH1A1NPC1
SCHEMBL10380867 0.91 ALDH1A1 (0.43) HTR2AOPRM1OPRD1ALDH1A1NPC1
SCHEMBL10381697 0.82 CA1 (0.46) HTR2AOPRM1OPRD1ALDH1A1MAPT
SCHEMBL8946330 0.78 OPRM1 (0.42) OPRM1ALDH1A1MAPTOPRK1
SCHEMBL8946325 0.78 OPRM1 (0.42) OPRM1ALDH1A1MAPTOPRK1
SCHEMBL8946320 0.78 OPRM1 (0.42) OPRM1ALDH1A1MAPTOPRK1
SCHEMBL8946494 0.78 MAPT (0.35) HTR2AALDH1A1MAPT
SCHEMBL8946478 0.78 MAPT (0.35) HTR2AALDH1A1MAPT
SCHEMBL8946486 0.78 MAPT (0.35) HTR2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US claimed
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP claimed
EP-0409410-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1991-01-23 EP claimed
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP disclosed
EP-0409410-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1991-01-23 EP disclosed