SCHEMBL9260990

SCHEMBL9260990

CN(Cc1ccccc1)C1(C#N)CCc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.42
OPRL1 P41146 2/20 0.42
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 4/20 0.37
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PYCR1 P32322 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
BLM P54132 1/20 0.36
KDM4E B2RXH2 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
AOC3 Q16853 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT8 Q9NR22 1/20 0.34

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
SCHEMBL9260981 1.00 OPRM1 (0.42) OPRM1OPRL1SIGMAR1ALDH1A1TSHR
SCHEMBL20741223 0.82 ADRA2A (0.36) OPRM1OPRL1SIGMAR1ALDH1A1TSHR
SCHEMBL3241413 0.81 OPRM1 (0.50) OPRM1OPRL1ALDH1A1TSHRLMNA
SCHEMBL27875481 0.79 OPRM1 (0.49) OPRM1OPRL1ALDH1A1TSHRLMNA
SCHEMBL24738201 0.75 OPRM1 (0.44) OPRM1OPRL1ALDH1A1TSHRLMNA
SCHEMBL13600125 0.74 OPRM1 (0.43) OPRM1OPRL1ALDH1A1TSHRLMNA
SCHEMBL5674633 0.73 OPRM1 (0.57) OPRM1OPRL1SIGMAR1ALDH1A1TSHR
SCHEMBL9180892 0.73 OPRM1 (0.43) OPRM1OPRL1SIGMAR1ALDH1A1TSHR
SCHEMBL20741224 0.73 ALDH1A1 (0.36) OPRM1OPRL1SIGMAR1ALDH1A1TSHR
SCHEMBL4446952 0.69 CTSS (0.41) OPRM1OPRL1ALDH1A1NAAA

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-5436261-A Adrenergic agonists ADIR ET COMPAGNIE (FR) 1995-07-25 US disclosed