SCHEMBL11065503

SCHEMBL11065503

CC(=O)C1(c2ccccc2)CCN(CCCCl)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.53
KCNA3 P22001 1/20 0.53
HTR7 P34969 1/20 0.53
TACR2 P21452 2/20 0.52
TACR1 P25103 2/20 0.52
TACR3 P29371 2/20 0.52
OPRD1 P41143 4/20 0.49
OPRK1 P41145 3/20 0.49
ADRA1A P35348 1/20 0.49
GAA P10253 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
SCHEMBL6643987 0.86 OPRM1 (0.53) OPRM1KCNA3HTR7TACR2TACR1
SCHEMBL917838 0.83 OPRM1 (0.50) OPRM1KCNA3HTR7TACR2TACR1
SCHEMBL9052124 0.83 DRD2 (0.70) HTR7TACR2TACR1TACR3ADRA1A
SCHEMBL5330651 0.81 CYP2D6 (0.61) OPRM1KCNA3TACR2TACR1TACR3
SCHEMBL8440281 0.81 OPRM1 (0.71) OPRM1KCNA3OPRD1OPRK1ADRA1A
SCHEMBL27651992 0.81 GAA (0.52) OPRM1KCNA3HTR7TACR2TACR1
SCHEMBL11721858 0.80 AKR1C1 (0.54) OPRM1KCNA3OPRD1OPRK1
SCHEMBL5848377 0.80 OPRD1 (0.54) OPRM1HTR7OPRD1OPRK1ADRA1A
SCHEMBL8324812 0.79 OPRM1 (0.63) OPRM1OPRD1OPRK1ADRA1A
SCHEMBL9052499 0.78 DRD2 (0.73)

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-4482560-A Carbostyril derivatives, and antihistaminic agents containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-11-13 US disclosed