SCHEMBL4721829

SCHEMBL4721829

Cc1ccc(NC(=O)NCCc2cccc(CN3CCN(C(=O)O)CC3)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.45
MAPT P10636 1/20 0.45
CNR1 P21554 2/20 0.44
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
CCR3 P51677 1/20 0.43
ACKR3 P25106 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42

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
SCHEMBL3198046 0.87 ACKR3 (0.52) FAAHMAPTHTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL4718791 0.87 CHRM3 (0.47) CNR1ACKR3
SCHEMBL3739306 0.83 CHRM3 (0.47) FAAHHTR1AHTR1DHTR1BACKR3
SCHEMBL3738423 0.82 NAMPT (0.43) FAAH
SCHEMBL3210123 0.82 HTR1A (0.60) HTR1AHTR1DHTR1B
SCHEMBL4710480 0.81 MEN1 (0.46) FAAHHTR1AHTR1DHTR1BACKR3
SCHEMBL3739030 0.81 CYP3A4 (0.44) FAAHACKR3ROCK2
SCHEMBL3196669 0.80 FAAH (0.47) FAAHMAPTACKR3
SCHEMBL4721274 0.80 FAAH (0.44) FAAHMAPT
SCHEMBL3733689 0.78 GLS (0.48) MAPTACKR3ROCK2

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-1959947-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
WO-2007075377-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-07-05 WO disclosed