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SCHEMBL4565089

SCHEMBL4565089

COC(=O)c1cc(-c2ccc(C)cn2)cc(-n2nnnc2C(C)(F)F)c1.Cc1ccc(-c2cc(C(=O)O)cc(-n3nnnc3C(C)(F)F)c2)nc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ P2RX3 P56373 13/20 0.36
▸ P2RX2 Q9UBL9 13/20 0.36
▸ P2RY14 Q15391 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 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
SCHEMBL356430 0.96 NR1I2 (0.38) NR1I2CYP2C9P2RX3P2RX2ALDH1A1
SCHEMBL357241 0.93 NR1I2 (0.38) NR1I2CYP2C9P2RX3P2RX2P2RY14
SCHEMBL10245238 0.84 ALDH1A1 (0.41) P2RX3P2RX2ALDH1A1HPGDHTT
SCHEMBL359328 0.81 P2RX3 (0.55) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL10244810 0.80 P2RX3 (0.39) P2RX3P2RX2
SCHEMBL12225924 0.80 NR1I2 (0.40) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL15936386 0.80 P2RX3 (0.44) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL357247 0.80 P2RX3 (0.57) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL3660068 0.80 P2RX3 (0.57) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL3066007 0.79 KDM4E (0.48) NR1I2P2RX3P2RX2ALDH1A1

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-2038264-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 — — EP disclosed
WO-2008000645-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 — — WO disclosed