SCHEMBL11848639

SCHEMBL11848639

CCCCNC(CC(F)C(=O)c1ccccc1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 12/20 0.47
OPRM1 P35372 10/20 0.47
OPRD1 P41143 5/20 0.45
OPRK1 P41145 6/20 0.45
CHRM4 P08173 1/20 0.44
ABCB11 O95342 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43
EBP Q15125 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PMP22 Q01453 1/20 0.43
HDAC3 O15379 1/20 0.41

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
SCHEMBL11847294 0.97 OPRL1 (0.46) OPRL1OPRM1OPRD1OPRK1CHRM4
SCHEMBL11855275 0.95 OPRL1 (0.48) OPRL1OPRM1OPRD1OPRK1CHRM4
SCHEMBL11846166 0.91 OPRL1 (0.49) OPRL1OPRM1OPRD1OPRK1CHRM4
SCHEMBL11846479 0.90 OPRL1 (0.47) OPRL1OPRM1OPRD1OPRK1CHRM4
SCHEMBL11847236 0.89 CHRM4 (0.48) OPRL1OPRM1OPRD1OPRK1CHRM4
SCHEMBL11848056 0.88 OPRM1 (0.51) OPRL1OPRM1OPRD1OPRK1CHRM4
SCHEMBL11852984 0.87 OPRM1 (0.48) OPRL1OPRM1OPRD1OPRK1CHRM4
SCHEMBL11850054 0.86 OPRL1 (0.49) OPRL1OPRM1OPRD1OPRK1CHRM4
SCHEMBL11849718 0.86 OPRL1 (0.49) OPRL1OPRM1OPRD1OPRK1CHRM4
SCHEMBL11845218 0.86 OPRL1 (0.47) OPRL1OPRM1OPRD1OPRK1CHRM4

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-3979390-A Butyrophenone derivatives and production thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-09-07 US disclosed