SCHEMBL28943239

SCHEMBL28943239

O=C(Nc1cccnc1Cl)N1CCC[C@H]1c1ncc(-c2ccccc2)s1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 11/20 0.72
▸ TRPM8 Q7Z2W7 1/20 0.62
▸ CPT1A P50416 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ POLB P06746 1/20 0.41
▸ AADAT Q8N5Z0 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40

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
SCHEMBL28943240 1.00 TRPV1 (0.72) TRPV1TRPM8CPT1ATDP1POLB
SCHEMBL28943412 0.85 TRPV1 (0.76) TRPV1TRPM8CPT1ATDP1POLB
SCHEMBL28943413 0.85 TRPV1 (0.76) TRPV1TRPM8CPT1ATDP1POLB
SCHEMBL28943362 0.83 TRPV1 (0.72) TRPV1TRPM8CPT1ATDP1
SCHEMBL28943361 0.83 TRPV1 (0.72) TRPV1TRPM8CPT1ATDP1
SCHEMBL28943406 0.82 TRPV1 (0.68) TRPV1CPT1A
SCHEMBL28943335 0.82 TRPV1 (0.66) TRPV1TRPM8CPT1APOLBAADAT
SCHEMBL30212118 0.82 TRPV1 (0.77) TRPV1TRPM8CPT1APOLBAADAT
SCHEMBL28943334 0.82 TRPV1 (0.66) TRPV1TRPM8CPT1APOLBAADAT
SCHEMBL28943277 0.82 TRPV1 (0.77) TRPV1TRPM8CPT1APOLBAADAT

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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