SCHEMBL20121312

SCHEMBL20121312

Cc1ccc(CF)c(F)c1Cl

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ HTR2B P41595 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL21574393 0.84 P2RX7 (0.31) HTR2AHTR2CHTR2BALDH1A1LMNA
SCHEMBL20121315 0.83 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL24610617 0.83 CTRC (0.36) HTR2AHTR2CHTR2BALDH1A1LMNA
SCHEMBL21115687 0.79 P2RX7 (0.32) HTR2AHTR2CHTR2B
SCHEMBL20121310 0.79 CTSL (0.34) —
SCHEMBL170385 0.76 HTR2B (0.35) HTR2AHTR2CHTR2BALDH1A1LMNA
SCHEMBL10595967 0.72 ACHE (0.36) —
SCHEMBL7624160 0.72 ALDH1A1 (0.37) HTR2AHTR2CHTR2BALDH1A1LMNA
SCHEMBL19727890 0.71 HTR2A (0.34) HTR2AHTR2CHTR2B
SCHEMBL14205126 0.70 SCN9A (0.34) HTR2AHTR2CHTR2B

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
US-9963637-B2 Liquid crystal medium MERCK PATENT GMBH (DE) 2018-05-08 — — US disclosed
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