SCHEMBL9399221

SCHEMBL9399221

CCCCCc1ccc(-c2cnc(CC[C@H]3CC[C@H](CCCCC)CC3)nc2)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CEL P19835 2/20 0.35
S1PR1 P21453 2/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
SLC5A2 P31639 2/20 0.32
NMT1 P30419 1/20 0.32
GRM2 Q14416 4/20 0.32
CNR2 P34972 4/20 0.31
LNPEP Q9UIQ6 3/20 0.31
CNR1 P21554 3/20 0.31

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
SCHEMBL9399226 1.00 CEL (0.35) CELS1PR1GAAMAPTSLC5A2
SCHEMBL9398924 0.88 LNPEP (0.35) CELGAAMAPTCNR2LNPEP
SCHEMBL9398920 0.88 LNPEP (0.35) CELGAAMAPTCNR2LNPEP
SCHEMBL9398730 0.87 GAA (0.36) CELS1PR1GAAMAPTNMT1
SCHEMBL9399406 0.87 CNR2 (0.35) GAAMAPTCNR2LNPEPCNR1
SCHEMBL9399271 0.87 GAA (0.32) CELGAAMAPTCNR2LNPEP
SCHEMBL9399400 0.87 CNR2 (0.35) GAAMAPTCNR2LNPEPCNR1
SCHEMBL9399262 0.87 GAA (0.32) CELGAAMAPTCNR2LNPEP
SCHEMBL9398741 0.87 GAA (0.36) CELS1PR1GAAMAPTNMT1
SCHEMBL9398827 0.85 GRM2 (0.38) CELS1PR1SLC5A2NMT1GRM2

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 7 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-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