SCHEMBL28943294

SCHEMBL28943294

O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 8/20 1.00
▸ CPT1A P50416 3/20 0.54
▸ CPT2 P23786 1/20 0.54
▸ THRB P10828 1/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HSD11B1 P28845 1/20 0.48
▸ POLB P06746 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ CPT1B Q92523 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ ROCK1 Q13464 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
SCHEMBL28943298 1.00 TRPV1 (1.00) TRPV1CPT1ACPT2THRBALOX12
SCHEMBL28943369 0.92 TRPV1 (0.85) TRPV1CPT1ACPT2POLBNPC1
SCHEMBL28943370 0.92 TRPV1 (0.85) TRPV1CPT1ACPT2POLBNPC1
SCHEMBL28943281 0.88 TRPV1 (0.78) TRPV1CPT1ACPT2KMT2APOLB
SCHEMBL28943279 0.88 TRPV1 (0.78) TRPV1CPT1ACPT2KMT2APOLB
SCHEMBL30212104 0.88 TRPV1 (0.78) TRPV1CPT1ACPT2KMT2APOLB
SCHEMBL28943342 0.85 TRPV1 (0.77) TRPV1CPT1ACPT2HSD11B1CPT1B
SCHEMBL28943345 0.85 TRPV1 (0.77) TRPV1CPT1ACPT2HSD11B1CPT1B
SCHEMBL28943403 0.85 TRPV1 (0.82) TRPV1CPT1ACPT2KMT2APOLB
SCHEMBL28943401 0.85 TRPV1 (0.82) TRPV1CPT1ACPT2KMT2APOLB

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 4 patents. 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
CN-111423432-A (S) -4/5-phenyl-2- (pyrrolidine-2-yl) thiazole TRPV1 antagonist and preparation and application thereof 河南大学 2020-07-17 — — CN claimed
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
CN-111423432-A (S) -4/5-phenyl-2- (pyrrolidine-2-yl) thiazole TRPV1 antagonist and preparation and application thereof 河南大学 2020-07-17 — — CN disclosed
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