SCHEMBL11565124

SCHEMBL11565124

COC(=O)c1ccccc1NC1(C(=O)OC)CCN(CCc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
OPRM1 P35372 8/20 0.51
OPRK1 P41145 3/20 0.51
OPRD1 P41143 2/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 1/20 0.45
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL11796906 0.89 OPRM1 (0.54) OPRM1OPRK1OPRD1GAAPOLB
SCHEMBL11796756 0.88 OPRM1 (0.50) OPRM1OPRK1OPRD1GAAPOLB
SCHEMBL11565335 0.86 KCNA3 (0.52) OPRM1OPRK1OPRD1MEN1KMT2A
SCHEMBL11564520 0.86 KCNA3 (0.57) OPRM1OPRK1OPRD1MEN1KMT2A
SCHEMBL11566234 0.84 OPRM1 (0.45) KDM4EOPRM1OPRK1OPRD1MEN1
SCHEMBL9737959 0.84 CA12 (0.62) OPRM1OPRK1OPRD1CA12CA1
SCHEMBL11563023 0.83 KCNA3 (0.47) OPRM1OPRK1OPRD1ALDH1A1MAPT
SCHEMBL11567683 0.82 KCNA3 (0.46) KDM4EOPRM1OPRK1OPRD1MEN1
SCHEMBL11562170 0.82 MEN1 (0.51) KDM4EOPRM1OPRK1OPRD1MEN1
SCHEMBL11564236 0.81 KCNA3 (0.44) OPRM1OPRK1OPRD1MEN1KMT2A

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-4179569-A ANALGESIC INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1979-12-18 US disclosed
US-3998834-A ANALGESICS JANSSEN PHARMACEUTICA N.V. (BE) 1976-12-21 US disclosed