SCHEMBL10694045

SCHEMBL10694045

CC(C(=O)c1ccc2c(c1)CCS2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 11/20 0.54
PLD2 O14939 8/20 0.54
OPRM1 P35372 6/20 0.52
HSD11B1 P28845 3/20 0.49
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
OPRL1 P41146 1/20 0.48

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
SCHEMBL10692743 0.95 PLD1 (0.53) PLD1PLD2OPRM1HSD11B1OPRD1
SCHEMBL10687790 0.88 PLD1 (0.54) PLD1PLD2OPRM1HSD11B1OPRD1
SCHEMBL10712205 0.84 PLD1 (0.53) PLD1PLD2OPRM1HSD11B1
SCHEMBL10692072 0.82 OPRM1 (0.54) PLD1PLD2OPRM1OPRD1OPRK1
SCHEMBL31422674 0.82 OPRM1 (0.71) PLD1PLD2OPRM1OPRD1OPRK1
Bromide SCHEMBL11033791 0.82 PLD1 (0.60) PLD1PLD2OPRM1HSD11B1OPRD1
SCHEMBL11033800 0.80 HSD11B1 (0.62) PLD1PLD2OPRM1HSD11B1OPRD1
SCHEMBL11030553 0.80 HSD11B1 (0.73) PLD1PLD2OPRM1HSD11B1OPRD1
Hydrochloric Acid SCHEMBL11033809 0.79 HSD11B1 (0.72) PLD1PLD2OPRM1HSD11B1OPRD1
SCHEMBL10416280 0.79 OPRM1 (0.63) PLD1PLD2OPRM1HSD11B1OPRD1

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