SCHEMBL8653172

SCHEMBL8653172

COc1ccccc1C1(O)CCC(C)(CO)C2CN(C(=O)Cc3c[nH]c4ccccc34)CC21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
TACR1 P25103 2/20 0.43
TACR3 P29371 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
ICMT O60725 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
CDK4 P11802 2/20 0.38
CCND1 P24385 2/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL8873453 0.91 OPRK1 (0.48) OPRK1DRD2DRD3KMT2AMEN1
SCHEMBL8956847 0.87 TACR1 (0.58) OPRK1DRD2DRD3KMT2AMEN1
SCHEMBL8956681 0.87 TACR1 (0.58) OPRK1DRD2DRD3KMT2AMEN1
SCHEMBL8875525 0.87 FNTA (0.51) KMT2AMEN1LMNATACR1SMN1; SMN2
SCHEMBL8873635 0.84 DRD2 (0.49) OPRK1DRD2DRD3KMT2AMEN1
SCHEMBL8876006 0.80 DRD2 (0.48) OPRK1DRD2DRD3KMT2AMEN1
SCHEMBL8956827 0.80 TACR1 (0.55) OPRK1DRD2DRD3KMT2AMEN1
SCHEMBL9243104 0.80 TACR1 (0.55) OPRK1DRD2DRD3KMT2AMEN1
SCHEMBL8874906 0.80 DRD2 (0.49) OPRK1DRD2DRD3KMT2AMEN1
SCHEMBL9245521 0.79 TACR1 (0.54) OPRK1DRD2DRD3KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711280-B1 PERHYDROISOINDOLE DERIVATIVES AS P SUBSTANCE ANTAGONISTS RHONE POULENC RORER SA (FR) 1998-09-23 EP claimed
US-5624950-A USEFUL IN TREATMENT OF ANALGESIA, INFLAMMATION, ASTHMA, ALLERGIES, CENTRAL NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS, IMMUNE SYSTEM DISORDERS, ANTISPASMODIC AGENTS, ANTIEMETIC AGENTS RHONE-POULENC RORER S.A. (FR) 1997-04-29 US claimed
US-5624950-A USEFUL IN TREATMENT OF ANALGESIA, INFLAMMATION, ASTHMA, ALLERGIES, CENTRAL NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS, IMMUNE SYSTEM DISORDERS, ANTISPASMODIC AGENTS, ANTIEMETIC AGENTS RHONE-POULENC RORER S.A. (FR) 1997-04-29 US disclosed