SCHEMBL14715402

SCHEMBL14715402

CCOc1cc2nc(N3CCC(Cc4ccccc4)(OC(=O)NCc4ccccc4)CC3)nc(O)c2cc1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 3/20 0.39
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ WHR1 P49842 2/20 0.36
▸ KIT P10721 1/20 0.36
▸ HTR7 P34969 6/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ AVPR1A P37288 1/20 0.34
▸ AVPR1B P47901 1/20 0.34
▸ DGAT2 Q96PD7 1/20 0.34
▸ RET P07949 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR2C P28335 1/20 0.34

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
SCHEMBL2170445 0.88 PDGFRB (0.40) PDGFRBPDE4APDE4BPDE4CPDE4D
SCHEMBL14715376 0.86 WHR1 (0.46) WHR1
SCHEMBL14715442 0.86 WHR1 (0.44) WHR1
SCHEMBL14715298 0.86 WHR1 (0.44) WHR1
SCHEMBL14715474 0.86 MCHR1 (0.36) RET
SCHEMBL14715424 0.83 WHR1 (0.42) WHR1RET
SCHEMBL14715403 0.83 WHR1 (0.41) PDGFRBWHR1RET
SCHEMBL14715369 0.82 PDE5A (0.44) WHR1
SCHEMBL14715513 0.82 NPC1 (0.41) RET
SCHEMBL14715414 0.81 NPC1 (0.41) RET

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346848-B1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-02-27 — — EP claimed
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