SCHEMBL8449097

SCHEMBL8449097

FCCC=C[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3ccc(F)c(F)c3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
ESR2 Q92731 2/20 0.33
CCR2 P41597 1/20 0.32
USP30 Q70CQ3 1/20 0.31
USP5 P45974 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
OPRL1 P41146 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
SCHEMBL8449093 1.00 HTR2A (0.34) HTR2AHTR2CHTR2BESR2CCR2
SCHEMBL8449089 1.00 HTR2A (0.34) HTR2AHTR2CHTR2BESR2CCR2
SCHEMBL8448977 0.93 HTR2A (0.38) HTR2AHTR2CHTR2BCCR2USP30
SCHEMBL8448972 0.93 HTR2A (0.38) HTR2AHTR2CHTR2BCCR2USP30
SCHEMBL8448975 0.93 HTR2A (0.38) HTR2AHTR2CHTR2BCCR2USP30
SCHEMBL8448376 0.90 HTR2A (0.35) HTR2AHTR2CHTR2BUSP30USP5
SCHEMBL8448380 0.90 HTR2A (0.35) HTR2AHTR2CHTR2BUSP30USP5
SCHEMBL8453712 0.89 OPRL1 (0.33) ESR2OPRL1
SCHEMBL8453717 0.89 OPRL1 (0.33) ESR2OPRL1
SCHEMBL8518687 0.89 CYP2C9 (0.36) HTR2AHTR2CHTR2BESR2CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679707-B1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1999-06-16 EP disclosed
US-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed
US-5653911-A Liquid crystalline compound liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1997-08-05 US disclosed
EP-0679707-A1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1995-11-02 EP disclosed