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SCHEMBL1799140

SCHEMBL1799140

COCc1csc(NC(=O)c2cc(-c3cncc(F)c3)cc(C)n2)n1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 11/20 0.47
▸ POLQ O75417 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39

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
SCHEMBL1796066 0.91 GRM5 (0.51) GRM5
SCHEMBL1798623 0.86 GRM5 (0.40) GRM5CYP1A2CYP2C9CYP3A4SLC6A3
SCHEMBL1793317 0.86 NPC1 (0.53) GRM5CYP3A4SLC6A3
SCHEMBL1795268 0.82 GRM5 (0.53) GRM5CYP3A4
SCHEMBL1796019 0.81 GRM5 (0.50) GRM5CYP1A2CYP2C9CYP3A4SLC6A3
SCHEMBL1794131 0.81 GRM5 (0.50) GRM5CYP1A2CYP2C9CYP3A4SLC6A3
SCHEMBL1793981 0.80 KDM4E (0.40) GRM5CYP1A2CYP2C9CYP3A4SLC6A3
SCHEMBL1797370 0.78 GRM5 (0.48) GRM5
SCHEMBL1795492 0.77 POLQ (0.44) GRM5POLQCYP1A2CYP2C9CYP3A4
SCHEMBL1797163 0.77 CYP1A2 (0.46) GRM5CYP1A2CYP2C9CYP3A4SLC6A3

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
US-7951824-B2 4-aryl-pyridine-2-carboxyamide derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-31 — — US claimed
US-7951824-B2 4-aryl-pyridine-2-carboxyamide derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-31 — — US disclosed
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