SCHEMBL13762035

SCHEMBL13762035

CCC1CCC(C2CCC(COc3ccc(C4CO4)c(Cl)c3F)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 7/20 0.36
▸ HTR2B P41595 4/20 0.36
▸ HTR2A P28223 3/20 0.36
▸ CNR2 P34972 3/20 0.32
▸ RIPK1 Q13546 1/20 0.30
▸ KMO O15229 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ FPR2 P25090 1/20 0.30
▸ HPGD P15428 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
SCHEMBL13264398 0.91 HTR2C (0.34) HTR2CHTR2BHTR2ACNR2RIPK1
SCHEMBL13762037 0.91 HPGD (0.38) HTR2CHTR2BHTR2ACNR2HPGD
SCHEMBL12388763 0.89 HTR2C (0.38) HTR2CHTR2BHTR2ACNR2RIPK1
SCHEMBL13762038 0.89 HTR2C (0.33) HTR2CHTR2BHTR2ARIPK1
SCHEMBL13264597 0.86 SCN9A (0.38) HTR2CHTR2BHTR2A
SCHEMBL13264595 0.82 HTR2C (0.34) HTR2CHTR2BHTR2ACNR2RIPK1
SCHEMBL13675139 0.82 OPRL1 (0.32) —
SCHEMBL13235533 0.82 HTR2C (0.34) HTR2CHTR2BHTR2ACNR2RIPK1
SCHEMBL13264596 0.81 HPGD (0.40) HTR2CHTR2BHTR2ACNR2RIPK1
SCHEMBL13586359 0.81 CNR2 (0.39) HTR2CHTR2BHTR2ACNR2FPR2

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-7569258-B2 Chlorofluorobenzene liquid crystal compound, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2009-08-04 — — US disclosed
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