SCHEMBL9399498

SCHEMBL9399498

CCCCCc1ccc(-c2cnc(OC[C@H]3CC[C@H](CCCCC)CC3)nc2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 4/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 1/20 0.33
GRM2 Q14416 5/20 0.32
CNR2 P34972 3/20 0.32
PTGES O14684 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CNR1 P21554 2/20 0.31
GRIN2B Q13224 1/20 0.31
RARB P10826 1/20 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
SCHEMBL9399492 1.00 LNPEP (0.34) LNPEPNOS3NOS1NOS2GRM2
SCHEMBL9398827 0.89 GRM2 (0.38) GRM2CNR2
SCHEMBL9398823 0.89 GRM2 (0.38) GRM2CNR2
SCHEMBL9399101 0.88 CNR2 (0.35) LNPEPCNR2PTGESCNR1RARB
SCHEMBL9399110 0.88 CNR2 (0.35) LNPEPCNR2PTGESCNR1RARB
SCHEMBL9398630 0.88 EP300 (0.33) GRM2CNR2PTGESGAAMAPT
SCHEMBL9398633 0.88 EP300 (0.33) GRM2CNR2PTGESGAAMAPT
SCHEMBL9399518 0.86 IKBKE (0.38)
SCHEMBL9399509 0.86 IKBKE (0.38)
SCHEMBL9398920 0.85 LNPEP (0.35) LNPEPCNR2GAAMAPTCNR1

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-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