SCHEMBL4011055

SCHEMBL4011055

O=C(Nc1cccnc1)Nc1cccc(CCN2CCN(C(=O)O)CC2)c1F

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.53
▸ DRD2 P14416 4/20 0.53
▸ TAAR1 Q96RJ0 1/20 0.45
▸ FAAH O00519 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ CCR3 P51677 4/20 0.43
▸ AHR P35869 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RORC P51449 1/20 0.42
▸ DHODH Q02127 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL402428 0.91 HTR1A (0.49) HTR1ADRD2TAAR1FAAHHTT
SCHEMBL5653128 0.87 CCR3 (0.46) HTR1ADRD2HTTCCR3RORC
SCHEMBL399571 0.85 EPHX2 (0.47) HTR1ADRD2TAAR1FAAHHTT
SCHEMBL401903 0.83 EPHX2 (0.45) HTR1ADRD2EPHX2AHRMEN1
SCHEMBL402492 0.82 RORC (0.49) HTR1ADRD2TAAR1FAAHHTT
SCHEMBL3199702 0.81 DDX3X (0.43) HTR1AEPHX2CCR3RORCDHODH
SCHEMBL402102 0.81 AHR (0.49) HTR1ADRD2TAAR1FAAHHTT
SCHEMBL402505 0.80 RORC (0.47) HTR1ADRD2TAAR1FAAHHTT
SCHEMBL5136854 0.80 RORC (0.46) FAAHCCR3AHRRORCDHODH
SCHEMBL3206142 0.79 RORC (0.49) HTR1ADRD2TAAR1FAAHCCR3

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
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