SCHEMBL30212576

SCHEMBL30212576

O=C(Nc1cccc(F)c1)N1CCC[C@H]1c1nc(-c2ccccc2)cs1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 10/20 0.81
▸ TRPM8 Q7Z2W7 1/20 0.53
▸ CPT1A P50416 6/20 0.52
▸ POLB P06746 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ CPT2 P23786 5/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ CPT1B Q92523 1/20 0.47

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
SCHEMBL28943330 1.00 TRPV1 (0.81) TRPV1TRPM8CPT1APOLBUSP2
SCHEMBL28943332 1.00 TRPV1 (0.81) TRPV1TRPM8CPT1APOLBUSP2
SCHEMBL30212104 0.86 TRPV1 (0.78) TRPV1TRPM8CPT1APOLBCPT2
SCHEMBL28943279 0.86 TRPV1 (0.78) TRPV1TRPM8CPT1APOLBCPT2
SCHEMBL28943281 0.86 TRPV1 (0.78) TRPV1TRPM8CPT1APOLBCPT2
SCHEMBL28943298 0.84 TRPV1 (1.00) TRPV1CPT1APOLBCPT2KMT2A
SCHEMBL28943294 0.84 TRPV1 (1.00) TRPV1CPT1APOLBCPT2KMT2A
SCHEMBL28943401 0.83 TRPV1 (0.82) TRPV1CPT1APOLBCPT2MEN1
SCHEMBL28943403 0.83 TRPV1 (0.82) TRPV1CPT1APOLBCPT2MEN1
SCHEMBL28943377 0.83 TRPV1 (0.81) TRPV1CPT1APOLBCPT2

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 disclosed
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