SCHEMBL19980686

SCHEMBL19980686

CC(C)N(C)C(=O)c1cc(F)ccc1-n1cc(C2CC3CN(CC4CCCCC4)CC3C2)c2ccncc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.39
OPRK1 P41145 3/20 0.39
OPRL1 P41146 3/20 0.39
KDM4C Q9H3R0 3/20 0.35
CNR1 P21554 3/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
USP19 O94966 2/20 0.30
CCNT1 O60563 1/20 0.30
CDK9 P50750 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL19980708 0.92 OPRM1 (0.48) OPRM1OPRK1OPRL1KDM4CCNR1
SCHEMBL30576599 0.92 MEN1 (0.33) OPRM1OPRK1OPRL1PTGDR2MEN1
SCHEMBL19972512 0.92 MEN1 (0.33) OPRM1OPRK1OPRL1PTGDR2MEN1
SCHEMBL19972706 0.91 OPRM1 (0.41) OPRM1OPRK1OPRL1KDM4CCNR1
SCHEMBL19972588 0.91 PIM2 (0.32) OPRM1OPRK1OPRL1PTGDR2CCNT1
SCHEMBL30524053 0.90 MEN1 (0.42) OPRM1OPRK1OPRL1KDM4CPTGDR2
SCHEMBL19972591 0.90 MEN1 (0.42) OPRM1OPRK1OPRL1KDM4CPTGDR2
SCHEMBL26005930 0.90 OPRM1 (0.32) OPRM1OPRK1OPRL1PTGDR2MEN1
SCHEMBL19980719 0.90 OPRM1 (0.45) OPRM1OPRK1OPRL1KDM4C
SCHEMBL19972620 0.89 PTGDR2 (0.31) KDM4CPTGDR2CCNT1CDK9

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-2018053267-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. (US) 2018-03-22 WO disclosed