SCHEMBL9399361

SCHEMBL9399361

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.46
CNR2 P34972 2/20 0.43
ABL1 P00519 1/20 0.39
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CRBN Q96SW2 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
SCHEMBL9399410 0.99 OPRL1 (0.47) OPRL1CNR2ABL1ALDH1A1CRBN
SCHEMBL9399166 0.97 OPRL1 (0.46) OPRL1CNR2ABL1ALDH1A1GAA
SCHEMBL9399383 0.97 OPRL1 (0.46) OPRL1CNR2ABL1ALDH1A1GAA
SCHEMBL9399103 0.89 OPRL1 (0.44) OPRL1CNR2GAAMAPT
SCHEMBL9399186 0.87 OPRL1 (0.42) OPRL1CNR2
SCHEMBL9398638 0.87 OPRL1 (0.39) OPRL1CNR2ABL1ALDH1A1CRBN
SCHEMBL9399309 0.82 CNR2 (0.43) CNR2ABL1ALDH1A1GAAMAPT
SCHEMBL9399877 0.82 OPRL1 (0.41) OPRL1CNR2GAAMAPT
SCHEMBL9399878 0.81 GAA (0.43) OPRL1GAAMAPT
SCHEMBL9399524 0.81 CNR2 (0.43) CNR2ABL1ALDH1A1CRBN

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