SCHEMBL28943413

SCHEMBL28943413

O=C(Nc1ccccc1Br)N1CCCC1c1ncc(-c2ccccc2)s1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 11/20 0.76
▸ TRPM8 Q7Z2W7 1/20 0.65
▸ CPT1A P50416 1/20 0.47
▸ MKNK1 Q9BUB5 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ USP30 Q70CQ3 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ AADAT Q8N5Z0 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ITGB3 P05106 1/20 0.40
▸ ITGB1 P05556 1/20 0.40
▸ ITGAV P06756 1/20 0.40
▸ ITGA5 P08648 1/20 0.40
▸ ITGA4 P13612 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
SCHEMBL28943412 1.00 TRPV1 (0.76) TRPV1TRPM8CPT1AMKNK1POLB
SCHEMBL28943240 0.85 TRPV1 (0.72) TRPV1TRPM8CPT1AMKNK1POLB
SCHEMBL28943361 0.85 TRPV1 (0.72) TRPV1TRPM8CPT1ATDP1
SCHEMBL28943362 0.85 TRPV1 (0.72) TRPV1TRPM8CPT1ATDP1
SCHEMBL28943239 0.85 TRPV1 (0.72) TRPV1TRPM8CPT1AMKNK1POLB
SCHEMBL28943288 0.83 TRPV1 (0.78) TRPV1TRPM8CPT1AAADATMAPT
SCHEMBL28943291 0.83 TRPV1 (0.78) TRPV1TRPM8CPT1AAADATMAPT
SCHEMBL28943340 0.82 TRPV1 (0.72) TRPV1TRPM8CPT1APOLBAADAT
SCHEMBL28943343 0.82 TRPV1 (0.72) TRPV1TRPM8CPT1APOLBAADAT
SCHEMBL30212122 0.80 TRPV1 (0.63) TRPV1TRPM8CPT1AMKNK1CNR2

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
Send feedback