SCHEMBL4772429

SCHEMBL4772429

CCc1cccc(C2[C@@H](C(=O)c3ccccc3)CN(CCO)C[C@@H]2C(=O)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.42
SLC18A3 Q16572 1/20 0.39
DRD3 P35462 2/20 0.39
DRD2 P14416 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HTR2A P28223 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CCR5 P51681 1/20 0.38
OPRM1 P35372 1/20 0.38
KAT6A Q92794 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
MC4R P32245 1/20 0.36

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
SCHEMBL4751332 0.91 DRD3 (0.46) RORCSLC18A3DRD3DRD2MEN1
SCHEMBL4022920 0.86 RORC (0.40) RORCSLC18A3DRD3DRD2MEN1
SCHEMBL4026119 0.85 SLC18A3 (0.45) RORCSLC18A3SIGMAR1MEN1KMT2A
SCHEMBL4024282 0.85 SLC18A3 (0.45) RORCSLC18A3SIGMAR1MEN1KMT2A
SCHEMBL4026663 0.84 RORC (0.41) RORCSIGMAR1MEN1KMT2ANPC1
SCHEMBL4026664 0.84 RORC (0.41) RORCSIGMAR1MEN1KMT2ANPC1
SCHEMBL4751331 0.83 F2R (0.41) RORCSLC18A3MEN1KMT2AKAT6A
SCHEMBL4772340 0.79 KMT2A (0.48) RORCDRD3DRD2MEN1KMT2A
SCHEMBL4776685 0.78 RORC (0.43) RORCSLC18A3SIGMAR1MEN1KMT2A
SCHEMBL4020589 0.78 RORC (0.43) RORCSLC18A3SIGMAR1MEN1KMT2A

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
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