SCHEMBL8915729

SCHEMBL8915729

CCCCOC(=O)N1CCC(C(=O)O)(c2ccc3ccccc3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.53
KMT2A Q03164 4/20 0.49
MEN1 O00255 1/20 0.49
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
TET3 O43151 2/20 0.45
FBXL19 Q6PCT2 2/20 0.45
CXXC5 Q7LFL8 2/20 0.45
TET1 Q8NFU7 2/20 0.45
KDM2B Q8NHM5 2/20 0.45
CXXC4 Q9H2H0 2/20 0.45
KDM2A Q9Y2K7 2/20 0.45
TSHR P16473 1/20 0.44
RCE1 Q9Y256 1/20 0.43
APP P05067 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
P2RY12 Q9H244 1/20 0.41

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
SCHEMBL1447090 0.87 OPRD1 (0.56) OPRM1KMT2AMEN1OPRD1OPRK1
SCHEMBL2918643 0.83 OPRM1 (0.50) OPRM1KMT2AMEN1OPRD1OPRK1
SCHEMBL6248104 0.82 KMT2A (0.54) OPRM1KMT2AMEN1OPRD1OPRK1
SCHEMBL9037444 0.80 OPRD1 (0.51) KMT2AMEN1OPRD1OPRK1TET3
SCHEMBL8353122 0.80 TSHR (0.52) OPRM1KMT2AOPRD1OPRK1TET3
SCHEMBL27472889 0.78 OPRD1 (0.57) OPRM1OPRD1OPRK1APPLMNA
SCHEMBL8438413 0.77 SMN1; SMN2 (0.55) OPRM1KMT2AMEN1OPRD1OPRK1
SCHEMBL9311071 0.76 OPRM1 (0.57) OPRM1KMT2AMEN1OPRD1OPRK1
SCHEMBL5592248 0.75 OPRD1 (0.55) OPRM1OPRD1OPRK1TSHRAPP
SCHEMBL7474464 0.74 APP (0.41) KMT2AMEN1OPRD1OPRK1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5635510-A TACHYKININ (ESPECIALLY SUBSTANCE P AND NEUROKININ A) ANTAGONISTS; ANTIINFLAMMATORY AGENTS, ANALGESICS; NERVOUS SYSTEM DISORDERS; BRONCHODILATOR AGENTS MERRELL PHARMACEUTICALS INC. (US) 1997-06-03 US disclosed