SCHEMBL11564236

SCHEMBL11564236

C=CCOC(=O)C1(Nc2ccccc2C(=O)OCC)CCN(CCc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.44
OPRM1 P35372 7/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL11565335 0.92 KCNA3 (0.52) KCNA3OPRM1OPRD1OPRK1TSHR
SCHEMBL11567683 0.87 KCNA3 (0.46) KCNA3OPRM1OPRD1OPRK1TSHR
SCHEMBL11563023 0.87 KCNA3 (0.47) KCNA3OPRM1OPRD1OPRK1TSHR
SCHEMBL11564520 0.83 KCNA3 (0.57) KCNA3OPRM1OPRD1OPRK1MEN1
SCHEMBL11567763 0.83 CA12 (0.56) KCNA3OPRM1OPRD1OPRK1CA12
SCHEMBL11566234 0.82 OPRM1 (0.45) KCNA3OPRM1OPRD1OPRK1MEN1
SCHEMBL11565124 0.81 KDM4E (0.51) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL11562170 0.80 MEN1 (0.51) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL11793631 0.78 OPRM1 (0.44) OPRM1OPRD1OPRK1KMT2AALDH1A1
SCHEMBL11568693 0.78 ALDH1A1 (0.41) KCNA3OPRM1OPRD1OPRK1MEN1

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