SCHEMBL9399392

SCHEMBL9399392

CCCCCc1ccc(-c2cnc(C(C)C3CCC(CCCCC)CC3)nc2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 4/20 0.33
GCGR P47871 2/20 0.33
CNR2 P34972 1/20 0.32
GRIN2B Q13224 2/20 0.32
PDE5A O76074 1/20 0.32
RARB P10826 2/20 0.31
RARA P10276 1/20 0.31
RARG P13631 1/20 0.31
GRIN1 Q05586 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL9399218 0.89 CEL (0.32) LNPEPGAAMAPT
SCHEMBL9398912 0.89 LNPEP (0.36) LNPEPGRIN2BGRIN1GAAMAPT
SCHEMBL9399258 0.88 ADAMTS4 (0.32) LNPEPGAAMAPT
SCHEMBL9399829 0.87 TLR9 (0.39) GRIN2BRARBRARAGRIN1
SCHEMBL9399404 0.85 S1PR1 (0.38) LNPEP
SCHEMBL9399858 0.85 LNPEP (0.33) LNPEPGCGRCNR2RARBGAA
SCHEMBL9399400 0.84 CNR2 (0.35) LNPEPCNR2PDE5ARARBRARA
SCHEMBL9399406 0.84 CNR2 (0.35) LNPEPCNR2PDE5ARARBRARA
SCHEMBL9399372 0.83 FFAR4 (0.37) LNPEPCNR2PDE5ARARBRARA
SCHEMBL9399385 0.83 FFAR4 (0.37) LNPEPCNR2PDE5ARARBRARA

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