SCHEMBL13944050

SCHEMBL13944050

Bc1ccc(C(=O)N(c2cc(Cl)c(Oc3ncccc3C(F)(F)F)cc2C(=O)O)C(C)C)nc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.34
▸ GPBAR1 Q8TDU6 2/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ LTC4S Q16873 1/20 0.33
▸ P2RX3 P56373 2/20 0.33
▸ CCR2 P41597 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ UGCG Q16739 2/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.32
▸ P2RY1 P47900 1/20 0.31
▸ ASPH Q12797 1/20 0.31
▸ PTGER4 P35408 1/20 0.31

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
SCHEMBL11922581 0.90 GPBAR1 (0.34) SCN9AGPBAR1FPR2TRPM8LTC4S
SCHEMBL11922608 0.85 LTC4S (0.36) SCN9AGPBAR1FPR2TRPM8LTC4S
SCHEMBL11922616 0.82 EIF4EBP1 (0.35) SCN9AGPBAR1FPR2TRPM8LTC4S
SCHEMBL11922628 0.77 SCN9A (0.36) SCN9AFPR2P2RX3MRGPRX4P2RY1
SCHEMBL11922631 0.76 GRM2 (0.30) —
SCHEMBL11922586 0.73 FPR2 (0.41) SCN9AFPR2P2RX3CCR2CYP3A4
SCHEMBL11922629 0.72 P2RY1 (0.33) SCN9AFPR2P2RX3CCR2P2RY1
SCHEMBL11991462 0.72 SCN9A (0.38) SCN9AFPR2LTC4SP2RX3PTGER4
SCHEMBL12763925 0.71 SCN9A (0.42) SCN9AGPBAR1FPR2P2RX3PTGER4
SCHEMBL11922615 0.70 SCN9A (0.34) SCN9ATRPM8LTC4SCYP3A4MRGPRX4

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
WO-2009018657-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-12 — — WO disclosed
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