SCHEMBL14191928

SCHEMBL14191928

O=[SH](=O)c1ccccc1-c1ccc2[nH]c(C(F)(F)Oc3ccc(C(F)(F)F)cc3)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 10/20 0.37
▸ PDE10A Q9Y233 4/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CHEK2 O96017 1/20 0.34
▸ TNKS O95271 1/20 0.34
▸ WNT3A P56704 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL4532247 0.83 TRPV1 (0.56) TRPV1
SCHEMBL4533896 0.81 TRPV1 (0.43) TRPV1BRD4
SCHEMBL4517072 0.81 TRPV1 (0.43) TRPV1POLB
SCHEMBL4522753 0.76 TRPV1 (0.41) TRPV1NPSR1CHEK2POLBMAPT
SCHEMBL13177116 0.68 F2 (0.44) TRPV1PDE10ACHEK2BRD4
SCHEMBL16927509 0.67 ALDH1A1 (0.41) TRPV1PDE10AMEN1POLBKMT2A
SCHEMBL20494892 0.66 DGAT1 (0.42) NPSR1TNKSDGAT1KCNH2POLB
SCHEMBL4525227 0.66 MAOB (0.44) TRPV1PDE10AMEN1POLBMAPT
SCHEMBL4536251 0.66 NPC1 (0.50) TRPV1PDE10AMEN1POLBKMT2A
SCHEMBL4512876 0.66 RAB9A (0.45) TRPV1PDE10AMEN1POLBKMT2A

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-2008076752-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-26 — — WO disclosed
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