SCHEMBL4022254

SCHEMBL4022254

COC(=O)N1CC(C(=O)c2cccc(OC)c2)C(c2cccc(F)c2C)C(C(=O)c2cccc(OC)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 4/20 0.45
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.42
HSD11B1 P28845 1/20 0.42
KDM2B Q8NHM5 3/20 0.41
NPC1 O15118 3/20 0.41
POLB P06746 1/20 0.41
CHRM1 P11229 1/20 0.41
THRB P10828 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GFER P55789 2/20 0.39
MEN1 O00255 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
PDE4B Q07343 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL13721371 1.00 SMN1; SMN2 (0.45) SMN1; SMN2RAB9AHTTKMT2AALDH1A1
SCHEMBL4022259 1.00 SMN1; SMN2 (0.45) SMN1; SMN2RAB9AHTTKMT2AALDH1A1
SCHEMBL4751582 0.91 KMT2A (0.46) SMN1; SMN2RAB9AHTTKMT2AALDH1A1
SCHEMBL4751579 0.91 KMT2A (0.46) SMN1; SMN2RAB9AHTTKMT2AALDH1A1
SCHEMBL4022793 0.91 KMT2A (0.43) SMN1; SMN2RAB9AHTTKMT2AALDH1A1
SCHEMBL4751581 0.91 KMT2A (0.46) SMN1; SMN2RAB9AHTTKMT2AALDH1A1
SCHEMBL4022795 0.91 KMT2A (0.43) SMN1; SMN2RAB9AHTTKMT2AALDH1A1
SCHEMBL4025306 0.85 HSD11B1 (0.41) SMN1; SMN2RAB9AHTTKMT2AALDH1A1
SCHEMBL4025311 0.85 HSD11B1 (0.41) SMN1; SMN2RAB9AHTTKMT2AALDH1A1
SCHEMBL4024597 0.84 KDM2B (0.45) SMN1; SMN2RAB9AHTTKMT2AALDH1A1

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 disclosed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO disclosed