SCHEMBL9399121

SCHEMBL9399121

CCCCCC1(c2ccc(C3(CCCCC)CCCCC3)cc2)CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.57
CNR1 P21554 3/20 0.57
SLC6A4 P31645 13/20 0.47
SLC6A3 Q01959 13/20 0.47
SLC6A2 P23975 7/20 0.47

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
SCHEMBL10790478 0.93 CNR2 (0.59) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL28984515 0.91 SLC6A3 (0.61) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL4653174 0.91 CNR2 (0.54) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL6688377 0.91 CNR2 (0.51) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL9185174 0.91 CNR2 (0.51) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL4564526 0.91 CNR2 (0.58) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL28280766 0.91 SLC6A4 (0.59) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL5678460 0.90 CNR2 (0.60) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL10590819 0.89 SLC6A4 (0.57) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL11334901 0.88 CNR1 (0.49) CNR2CNR1SLC6A4SLC6A3SLC6A2

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