SCHEMBL28219653

SCHEMBL28219653

Clc1nccc(N2CC[CH]CC2)n1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.49
SORD Q00796 4/20 0.48
OGA O60502 1/20 0.44
HRH3 Q9Y5N1 2/20 0.41
HRH4 Q9H3N8 1/20 0.41

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
SCHEMBL3949154 0.85 TRPV1 (0.51) TRPV1SORDOGAHRH3HRH4
SCHEMBL29519276 0.85 TRPV1 (0.51) TRPV1SORDOGAHRH3HRH4
SCHEMBL1427479 0.85 TRPV1 (0.51) TRPV1SORDOGAHRH3HRH4
SCHEMBL2087838 0.83 CXCR4 (0.51) TRPV1SORDOGAHRH3HRH4
SCHEMBL1088796 0.83 CXCR4 (0.51) TRPV1SORDOGAHRH3HRH4
SCHEMBL20361965 0.81 TRPV1 (0.49) TRPV1SORDOGAHRH3HRH4
SCHEMBL11823109 0.80 TRPV1 (0.48) TRPV1SORDOGAHRH3HRH4
SCHEMBL2190955 0.80 HRH4 (0.65) TRPV1SORDHRH3HRH4
SCHEMBL1110658 0.80 PIK3CA (0.50) TRPV1SORDOGA
SCHEMBL29997962 0.80 HRH4 (0.65) TRPV1SORDHRH3HRH4

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
CN-108135175-B Bicyclic compounds and their use for inhibition of SUV39H2 肿瘤疗法科学股份有限公司 2021-04-06 CN disclosed
CN-108135175-A Bicyclic compounds and their use for inhibition of SUV39H2 肿瘤疗法科学股份有限公司 2018-06-08 CN disclosed