SCHEMBL4751332

SCHEMBL4751332

CCCc1cccc(C2C(C(=O)c3ccccc3)CN(CCO)CC2C(=O)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.46
DRD2 P14416 2/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
RORC P51449 1/20 0.41
KAT6A Q92794 1/20 0.39
HTR2A P28223 1/20 0.39
OPRM1 P35372 1/20 0.39
SLC18A3 Q16572 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
MC4R P32245 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNH2 Q12809 1/20 0.37
MGLL Q99685 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
SCHEMBL4772429 0.91 RORC (0.42) DRD3DRD2RORCKAT6AHTR2A
SCHEMBL4026119 0.83 SLC18A3 (0.45) RORCHTR2ASLC18A3MC4RMEN1
SCHEMBL4024282 0.83 SLC18A3 (0.45) RORCHTR2ASLC18A3MC4RMEN1
SCHEMBL4751331 0.81 F2R (0.41) RORCKAT6ASLC18A3MC4RMEN1
SCHEMBL4772340 0.80 KMT2A (0.48) DRD3DRD2DRD1DRD4DRD5
SCHEMBL4022920 0.77 RORC (0.40) DRD3DRD2RORCHTR2AOPRM1
SCHEMBL4020589 0.76 RORC (0.43) RORCHTR2ASLC18A3MEN1KMT2A
SCHEMBL4776685 0.76 RORC (0.43) RORCHTR2ASLC18A3MEN1KMT2A
SCHEMBL4026664 0.76 RORC (0.41) RORCOPRM1MEN1KMT2A
SCHEMBL4022926 0.76 RORC (0.41) DRD3DRD2RORCHTR2AOPRM1

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
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO claimed
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed