SCHEMBL18901958

SCHEMBL18901958

CC[C@@](C=O)(c1ccccc1)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
FKBP1A P62942 2/20 0.39
LMNA P02545 1/20 0.39
KCNA5 P22460 2/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 2/20 0.38
USP2 O75604 1/20 0.38
RAB9A P51151 1/20 0.38
NAMPT P43490 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL26162956 0.81 GAA (0.42) OPRM1OPRD1SMN1; SMN2GAAALDH1A1
SCHEMBL9079796 0.74 MAPT (0.44) SMN1; SMN2GAAALDH1A1FKBP1ALMNA
SCHEMBL4541997 0.73 KCNA5 (0.48) OPRM1OPRD1SMN1; SMN2GAAALDH1A1
SCHEMBL5591971 0.73 SMN1; SMN2 (0.47) OPRM1OPRD1SMN1; SMN2GAAALDH1A1
SCHEMBL11541844 0.70 SMN1; SMN2 (0.54) OPRM1OPRD1SMN1; SMN2GAAALDH1A1
SCHEMBL12613218 0.70 ALDH1A1 (0.42) SMN1; SMN2GAAALDH1A1FKBP1ALMNA
SCHEMBL18889556 0.70 OPRM1 (0.60) OPRM1OPRD1SMN1; SMN2GAAALDH1A1
SCHEMBL2696963 0.70 CYP2B6 (0.66) OPRM1OPRD1SMN1; SMN2GAAALDH1A1
SCHEMBL9681172 0.70 SMN1; SMN2 (0.50) OPRM1OPRD1SMN1; SMN2GAAALDH1A1
SCHEMBL8904963 0.69 LMNA (0.48) OPRM1OPRD1SMN1; SMN2GAAALDH1A1

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
EP-2328865-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed