SCHEMBL10693662

SCHEMBL10693662

CC(C(O)c1ccc2c(c1)CCCS2)N1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.55
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
DRD3 P35462 1/20 0.47
PLD1 Q13393 4/20 0.46
PLD2 O14939 3/20 0.46
YEATS4 O95619 1/20 0.42
MLLT3 P42568 1/20 0.42
MLLT1 Q03111 1/20 0.42
KCNH2 Q12809 1/20 0.42
YEATS2 Q9ULM3 1/20 0.42
CHRM1 P11229 1/20 0.42

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
SCHEMBL10690442 0.89 OPRM1 (0.52) OPRM1PLD1PLD2
SCHEMBL10692072 0.84 OPRM1 (0.54) OPRM1PLD1PLD2
SCHEMBL10712205 0.84 PLD1 (0.53) OPRM1HTR1AADRA2ADRD2HTR2A
SCHEMBL11251753 0.80 OPRM1 (0.60) OPRM1HTR1AADRA2ADRD2HTR2A
SCHEMBL11258172 0.76 OPRM1 (0.58) OPRM1HTR1AADRA2ADRD2HTR2A
SCHEMBL7709273 0.76 OPRM1 (0.72) OPRM1HTR1AADRA2ADRD2HTR2A
SCHEMBL10694307 0.76 OPRM1 (0.52) OPRM1PLD1PLD2
SCHEMBL10694355 0.73 OPRM1 (0.53) OPRM1PLD1PLD2
SCHEMBL10692634 0.73 ADRA1A (0.61) OPRM1HTR1AADRA2ADRD2HTR2A
SCHEMBL10692743 0.73 PLD1 (0.53) OPRM1PLD1PLD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4791104-A HYPOTENSIVE, ANTILIPEMIC, ANTIHROMBOTIC, ANTIHYPOXIC AGENTS MAGGIONI-WINTHROP S.P.A. (IT) 1988-12-13 US disclosed
WO-1987002359-A1 DIHYDROBENZOTHIOPHENE AND THIOCHROMANE AMINOALCOHOLS MAGGIONI-WINTHROP S.P.A. (IT) 1987-04-23 WO disclosed