SCHEMBL24018827

SCHEMBL24018827

Fc1cc(F)c(CNI)c(OCC2CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 13/20 0.38
▸ SCN5A Q14524 2/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.36

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
SCHEMBL24018791 0.87 SCN9A (0.39) SCN9ASCN5ARIPK1HTR2AHTR2C
SCHEMBL22957638 0.86 HTR2A (0.41) SCN9ASCN5ARIPK1HTR2AHTR2C
SCHEMBL22957828 0.83 SCN9A (0.39) SCN9ASCN5ARIPK1HTR2AHTR2C
SCHEMBL20472323 0.81 HTR2A (0.41) SCN9AHTR2AHTR2CHTR2BPARP10
SCHEMBL29786587 0.81 HTR2A (0.41) SCN9AHTR2AHTR2CHTR2BPARP10
SCHEMBL22389492 0.77 RIPK1 (0.44) SCN9ASCN5ARIPK1HTR2AHTR2C
SCHEMBL24180164 0.74 PARP10 (0.43) SCN9ASCN5AHTR2AHTR2CHTR2B
SCHEMBL28331550 0.74 SCN9A (0.42) SCN9ASCN5AHTR2AHTR2CHTR2B
SCHEMBL24180086 0.72 HTR2A (0.38) SCN9ARIPK1HTR2AHTR2CHTR2B
SCHEMBL22390588 0.71 RIPK1 (0.50) SCN9ARIPK1HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3580220-B1 AMINOTRIAZOLOPYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-11-17 — — EP disclosed
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