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SCHEMBL9255017

SCHEMBL9255017

CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](COc3cc(F)c(F)cc3F)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 11/20 0.36
▸ RIPK1 Q13546 1/20 0.34
▸ HTR2A P28223 2/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ HTR2B P41595 2/20 0.32
▸ DUT P33316 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ SCN5A Q14524 1/20 0.32

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
SCHEMBL9255009 1.00 SCN9A (0.36) SCN9ARIPK1HTR2AHTR2CHTR2B
SCHEMBL9255020 1.00 SCN9A (0.36) SCN9ARIPK1HTR2AHTR2CHTR2B
SCHEMBL9252919 0.96 SCN9A (0.38) SCN9ARIPK1HTR2AHTR2CHTR2B
SCHEMBL9252921 0.96 SCN9A (0.38) SCN9ARIPK1HTR2AHTR2CHTR2B
SCHEMBL9254283 0.90 SCN9A (0.38) SCN9ARIPK1HTR2AHTR2CHTR2B
SCHEMBL9251122 0.87 SCN9A (0.33) SCN9ARIPK1HTR2AHTR2CHTR2B
SCHEMBL9251116 0.87 SCN9A (0.33) SCN9ARIPK1HTR2AHTR2CHTR2B
SCHEMBL9254954 0.86 HTR2A (0.43) RIPK1HTR2AHTR2CHTR2B
SCHEMBL9254949 0.86 HTR2A (0.43) RIPK1HTR2AHTR2CHTR2B
SCHEMBL24170298 0.83 RIPK1 (0.38) RIPK1HTR2AHTR2CHTR2B

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
WO-1995009828-A1 2,4,5-TRIFLUOROBENZENES AND THEIR USE IN LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1995-04-13 — — WO disclosed