SCHEMBL4007633

SCHEMBL4007633

Cc1ccc(NN(C=O)c2cc(F)cc(CN3CCC(C(=O)O)CC3)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.41
SSTR5 P35346 1/20 0.40
ACKR3 P25106 8/20 0.40
ACHE P22303 2/20 0.40
GALR3 O60755 1/20 0.40
RAB9A P51151 1/20 0.40
OGA O60502 1/20 0.39
CHRM4 P08173 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
CACNA1G O43497 1/20 0.37

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
SCHEMBL402650 0.80 ACKR3 (0.48) CCR3SSTR5ACKR3ACHEGALR3
SCHEMBL4004740 0.75 PRKAA2 (0.41)
SCHEMBL436083 0.74 ACKR3 (0.49) CCR3SSTR5ACKR3ACHEOGA
SCHEMBL4008649 0.74 ALDH1A1 (0.40)
SCHEMBL19349017 0.73 CCR3 (0.41) CCR3ACKR3ACHECACNA1G
SCHEMBL18291546 0.72 KMT2A (0.56) ACKR3
SCHEMBL398905 0.72 ACKR3 (0.49) CCR3SSTR5ACKR3ACHEOGA
SCHEMBL401873 0.71 ACKR3 (0.47) CCR3SSTR5ACKR3ACHEGALR3
SCHEMBL401862 0.71 KDM4E (0.34)
SCHEMBL402696 0.71 ACHE (0.41) CCR3SSTR5ACKR3ACHE

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