SCHEMBL9399101

SCHEMBL9399101

CCCCCc1ccc(-c2cnc(OCC3CCC(CCCCC)CC3)nc2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.35
PTGES O14684 1/20 0.33
CNR1 P21554 5/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PDE5A O76074 1/20 0.32
RARB P10826 3/20 0.32
RARA P10276 2/20 0.32
RARG P13631 1/20 0.32
FFAR1 O14842 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
AOC3 Q16853 1/20 0.32
LNPEP Q9UIQ6 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
SCHEMBL9399110 1.00 CNR2 (0.35) CNR2PTGESCNR1FFAR4PDE5A
SCHEMBL9398823 0.88 GRM2 (0.38) CNR2
SCHEMBL9399492 0.88 LNPEP (0.34) CNR2PTGESCNR1RARBLNPEP
SCHEMBL9398827 0.88 GRM2 (0.38) CNR2
SCHEMBL9399498 0.88 LNPEP (0.34) CNR2PTGESCNR1RARBLNPEP
SCHEMBL9398908 0.87 FFAR4 (0.43) FFAR4RARBRARAFFAR1
SCHEMBL9398921 0.87 FFAR4 (0.43) FFAR4RARBRARAFFAR1
SCHEMBL9398630 0.87 EP300 (0.33) CNR2PTGESCNR1
SCHEMBL9398633 0.87 EP300 (0.33) CNR2PTGESCNR1
SCHEMBL9399400 0.86 CNR2 (0.35) CNR2CNR1PDE5ARARBRARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5338483-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-08-16 US disclosed
US-5310501-A Anisotropic compounds having Nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-05-10 US disclosed
US-5227484-A ANISOTROPIC COMPOUNDS HAVING NEMATIC PHASE AND LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1993-07-13 US disclosed
US-5179101-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1993-01-12 US disclosed
US-5047170-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1991-09-10 US disclosed
US-4808333-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1989-02-28 US disclosed
EP-0084194-B1 LIQUID CRYSTAL MIXTURES MERCK PATENT GmbH (DE) 1986-04-30 EP disclosed
EP-0084194-A1 Liquid crystal mixtures MERCK PATENT GmbH (DE) 1983-07-27 EP disclosed