SCHEMBL9399166

SCHEMBL9399166

CCCCCCCCC[C@H]1CC[C@H](c2ccc(NCCCCCCCC)cc2C)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.46
CNR2 P34972 2/20 0.46
ABL1 P00519 1/20 0.42
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL9399383 1.00 OPRL1 (0.46) OPRL1CNR2ABL1ALDH1A1GAA
SCHEMBL9399361 0.97 OPRL1 (0.46) OPRL1CNR2ABL1ALDH1A1GAA
SCHEMBL9399410 0.96 OPRL1 (0.47) OPRL1CNR2ABL1ALDH1A1
SCHEMBL9399103 0.87 OPRL1 (0.44) OPRL1CNR2GAAMAPT
SCHEMBL9398638 0.85 OPRL1 (0.39) OPRL1CNR2ABL1ALDH1A1
SCHEMBL9399186 0.85 OPRL1 (0.42) OPRL1CNR2
SCHEMBL9399715 0.82 CNR2 (0.46) CNR2ABL1ALDH1A1GPR119
SCHEMBL9399151 0.82 CNR2 (0.46) CNR2ABL1ALDH1A1GPR119
SCHEMBL9399878 0.81 GAA (0.43) OPRL1GAAMAPT
SCHEMBL9399342 0.80 OPRL1 (0.42) OPRL1ALDH1A1GAAMAPT

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