SCHEMBL18901952

SCHEMBL18901952

C[C@H](O)Cc1cnc(N2CCN(C(=O)Nc3nc4ccccc4s3)CC2)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 19/20 0.62
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL18381105 0.91 TRPV1 (0.66) TRPV1
SCHEMBL14406287 0.91 TRPV1 (0.76) TRPV1
SCHEMBL18902119 0.91 TRPV1 (0.76) TRPV1
SCHEMBL14945223 0.91 TRPV1 (0.60) TRPV1
SCHEMBL12074317 0.91 TRPV1 (0.60) TRPV1
SCHEMBL14406288 0.90 TRPV1 (0.77) TRPV1
SCHEMBL14406328 0.90 TRPV1 (0.65) TRPV1
SCHEMBL14406327 0.89 TRPV1 (0.77) TRPV1
SCHEMBL14406216 0.88 TRPV1 (0.76) TRPV1
SCHEMBL14406295 0.88 TRPV1 (0.78) TRPV1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3173411-B1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA LP (US) 2018-05-09 EP disclosed
EP-3173411-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF Purdue Pharma L.P. (US) 2017-05-31 EP disclosed