SCHEMBL7744930

SCHEMBL7744930

O=c1[nH]c2ccccc2n1C1CCN(CC2CCCC(F)(F)CCC2)CC1.O=c1[nH]c2ccccc2n1C1CCNCC1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.72
OPRL1 P41146 4/20 0.72
OPRK1 P41145 3/20 0.72
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CHRM1 P11229 3/20 0.50
PLD1 Q13393 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM3 P20309 1/20 0.50
DRD2 P14416 1/20 0.49
KCNH2 Q12809 1/20 0.49
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 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
SCHEMBL4909235 0.95 OPRM1 (0.79) OPRM1OPRL1OPRK1CYP2D6CYP2C9
SCHEMBL12204966 0.88 OPRM1 (0.80) OPRM1OPRL1OPRK1CYP2D6CYP2C9
SCHEMBL6591096 0.85 OPRM1 (0.97) OPRM1OPRL1OPRK1CYP2D6CYP2C9
SCHEMBL6585522 0.84 OPRM1 (1.00) OPRM1OPRL1OPRK1CYP2D6CYP2C9
SCHEMBL14186018 0.84 OPRM1 (1.00) OPRM1OPRL1OPRK1CYP2D6CYP2C9
SCHEMBL4913077 0.84 OPRM1 (1.00) OPRM1OPRL1OPRK1CYP2D6CYP2C9
SCHEMBL4922697 0.84 OPRM1 (1.00) OPRM1OPRL1OPRK1CYP2D6CYP2C9
SCHEMBL4921324 0.84 OPRM1 (1.00) OPRM1OPRL1OPRK1CYP2D6CYP2C9
SCHEMBL5771940 0.83 OPRM1 (0.88) OPRM1OPRL1OPRK1CYP2D6CYP2C9
SCHEMBL44492 0.78 CHRM1 (0.63) OPRM1OPRL1OPRK1CYP2D6CYP2C9

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-6258825-B1 ANALGESIC, A RELIEVER AGAINST TOLERANCE TO A NARCOTIC ANALGESIC REPRESENTED BY MORPHINE, REMEDY FOR PARKINSONISM, A REMEDY FOR CHOREA, AN ANTIDEPRESSANT, A REMEDY FOR DIABETES INSIPIDUS, A REMEDY FOR POLYURIA, OR HYPOTENSION BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-07-10 US disclosed