SCHEMBL4710480

SCHEMBL4710480

Cc1ccc(NC(=O)NC(C)c2cccc(CN3CCN(C(=O)O)CC3)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.45
FAAH O00519 9/20 0.44
ACKR3 P25106 2/20 0.42
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL3731076 0.88 CCNK (0.42) MEN1KMT2AMAPK1FAAHACKR3
SCHEMBL3731078 0.88 CCNK (0.42) MEN1KMT2AMAPK1FAAHACKR3
Hydrochloric Acid SCHEMBL3739080 0.87 MAPK1 (0.43) MEN1KMT2AMAPK1ACKR3ROCK2
Hydrochloric Acid SCHEMBL3739075 0.87 MAPK1 (0.43) MEN1KMT2AMAPK1ACKR3ROCK2
SCHEMBL3198046 0.86 ACKR3 (0.52) FAAHACKR3HTR1AHTR1DHTR1B
SCHEMBL3736252 0.85 NAMPT (0.42) MEN1KMT2AMAPK1ACKR3ROCK2
SCHEMBL3742162 0.85 NAMPT (0.42) MEN1KMT2AMAPK1ACKR3ROCK2
SCHEMBL4711098 0.85 MEN1 (0.40) MEN1KMT2AMAPK1ACKR3HTR1A
SCHEMBL4721829 0.81 FAAH (0.45) FAAHACKR3HTR1AHTR1DHTR1B
SCHEMBL3196669 0.78 FAAH (0.47) MEN1KMT2AFAAHACKR3POLB

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-1959963-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
WO-2007089336-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-08-09 WO disclosed