SCHEMBL4021116

SCHEMBL4021116

Cc1c(F)cccc1C1[C@@H](C(=O)c2cccc(O)c2)CN(C2CCNC2)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
ABL2 P42684 1/20 0.35
MGLL Q99685 6/20 0.34
CXCR2 P25025 2/20 0.33
OPRM1 P35372 1/20 0.33
KDM2B Q8NHM5 2/20 0.32
HTR6 P50406 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GNRHR P30968 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL4018745 0.94 CXCR2 (0.35) SLC6A2SLC6A4SLC6A3MGLLCXCR2
SCHEMBL4022812 0.94 HTR6 (0.35) MGLLCXCR2KDM2BHTR6
SCHEMBL4749224 0.92 OPRM1 (0.35) MGLLCXCR2OPRM1MEN1KMT2A
SCHEMBL4749242 0.92 OPRM1 (0.35) MGLLCXCR2OPRM1MEN1KMT2A
SCHEMBL4021646 0.85 MC4R (0.36) MGLLOPRM1KDM2BMEN1KMT2A
SCHEMBL4751351 0.85 MEN1 (0.40) MGLLOPRM1MEN1KMT2A
SCHEMBL4752869 0.85 MEN1 (0.40) MGLLOPRM1MEN1KMT2A
SCHEMBL4025296 0.84 MGLL (0.35) MGLLKDM2BMEN1KMT2ANPC1
SCHEMBL4018836 0.84 GRIN1 (0.38) MGLLKDM2BMEN1KMT2A
SCHEMBL4749392 0.83 MGLL (0.36) MGLLOPRM1KDM2BMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US claimed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed