SCHEMBL28943328

SCHEMBL28943328

Cc1cc(C)c(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)cs2)c(C)c1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 8/20 0.77
▸ CPT1A P50416 11/20 0.53
▸ CPT2 P23786 8/20 0.51
▸ CPT1B Q92523 5/20 0.48

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
SCHEMBL28943401 0.80 TRPV1 (0.82) TRPV1CPT1ACPT2CPT1B
SCHEMBL28943403 0.80 TRPV1 (0.82) TRPV1CPT1ACPT2CPT1B
SCHEMBL28943260 0.80 TRPV1 (0.78) TRPV1CPT1ACPT2CPT1B
SCHEMBL28943330 0.80 TRPV1 (0.81) TRPV1CPT1ACPT2CPT1B
SCHEMBL28943286 0.80 TRPV1 (0.70) TRPV1CPT1ACPT2CPT1B
SCHEMBL28943332 0.80 TRPV1 (0.81) TRPV1CPT1ACPT2CPT1B
SCHEMBL30212576 0.80 TRPV1 (0.81) TRPV1CPT1ACPT2CPT1B
SCHEMBL28943259 0.80 TRPV1 (0.78) TRPV1CPT1ACPT2CPT1B
SCHEMBL28943283 0.80 TRPV1 (0.70) TRPV1CPT1ACPT2CPT1B
SCHEMBL30212098 0.78 TRPV1 (0.66) TRPV1CPT1ACPT2CPT1B

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
CN-111423432-B (S) -4/5-phenyl-2- (pyrrolidine-2-yl) thiazole TRPV1 antagonist and preparation and application thereof 河南大学 2023-01-24 — — CN claimed
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