SCHEMBL20141372

SCHEMBL20141372

O=C(O)N1CCC(O)(c2ccccc2Br)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.42
OPRM1 P35372 6/20 0.42
OPRD1 P41143 6/20 0.42
OPRK1 P41145 6/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
CCR1 P32246 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
HSD11B1 P28845 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
SCHEMBL23357843 0.83 GAA (0.39) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL27201548 0.82 MEN1 (0.39) OPRL1ALDH1A1LMNAHSD11B1
SCHEMBL5373284 0.81 OPRM1 (0.60) OPRL1OPRM1OPRD1OPRK1
SCHEMBL1660328 0.79 CA12 (0.45) OPRM1OPRD1CA12CA1CA2
SCHEMBL3249164 0.79 GPR119 (0.47) OPRD1OPRK1
SCHEMBL23232266 0.78 OPRL1 (0.42) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL30062630 0.78 OPRL1 (0.42) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL795975 0.78 ALDH1A1 (0.56) OPRL1OPRM1OPRD1OPRK1CA12
SCHEMBL3326370 0.77 HDAC4 (0.47) OPRL1OPRM1OPRD1OPRK1
SCHEMBL14153963 0.77 OPRL1 (0.47) OPRL1OPRM1OPRD1OPRK1

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed