SCHEMBL4301768

SCHEMBL4301768

CC1CN(Cc2cccc(NC(=O)Nc3ccc(C(F)(F)F)nc3)c2F)CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 1/20 0.41
CHRM4 P08173 1/20 0.41
EPHX2 P34913 1/20 0.41
CLK2 P49760 1/20 0.39
DYRK1A Q13627 1/20 0.39
FPR2 P25090 5/20 0.39
FPR1 P21462 1/20 0.39
RORC P51449 1/20 0.39
DHODH Q02127 1/20 0.39
CCR3 P51677 1/20 0.39
AR P10275 3/20 0.38
KCNH2 Q12809 1/20 0.38
USP30 Q70CQ3 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL3200068 0.89 RORC (0.47) RORCDHODHCCR3NPC1RAB9A
SCHEMBL3208737 0.89 RORC (0.47) RORCDHODHCCR3NPC1RAB9A
SCHEMBL3214027 0.89 RORC (0.47) RORCDHODHCCR3NPC1RAB9A
SCHEMBL3198747 0.85 RORC (0.44) P2RY1EPHX2CLK2DYRK1AFPR2
SCHEMBL3198451 0.85 CACNA1G (0.43) RORCDHODHCCR3
SCHEMBL3214394 0.82 RORC (0.47) RORCDHODHCCR3NPC1RAB9A
SCHEMBL3209497 0.82 RORC (0.47) RORCDHODHCCR3NPC1RAB9A
SCHEMBL401299 0.82 P2RY1 (0.44) P2RY1EPHX2CLK2DYRK1AFPR2
SCHEMBL3197593 0.82 RORC (0.46) RORCDHODHCCR3KCNH2NPC1
SCHEMBL3191043 0.82 RORC (0.46) RORCDHODHCCR3KCNH2NPC1

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
EP-1765327-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2009-06-17 EP claimed
EP-1765327-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2007-03-28 EP claimed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 WO claimed