SCHEMBL9399524

SCHEMBL9399524

CCCCC[C@H]1CC[C@H](CCc2ccc(NCCCC)cc2C)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.43
ALDH1A1 P00352 1/20 0.38
ABL1 P00519 1/20 0.37
TLR7 Q9NYK1 1/20 0.36
CRBN Q96SW2 2/20 0.35
AR P10275 1/20 0.34
P2RX3 P56373 2/20 0.34
GPR119 Q8TDV5 2/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32

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
SCHEMBL9399309 0.99 CNR2 (0.43) CNR2ALDH1A1ABL1TLR7CRBN
SCHEMBL9399715 0.96 CNR2 (0.46) CNR2ALDH1A1ABL1TLR7CRBN
SCHEMBL9399151 0.96 CNR2 (0.46) CNR2ALDH1A1ABL1TLR7CRBN
SCHEMBL9399614 0.88 CNR2 (0.39) CNR2ALDH1A1ABL1TLR7CRBN
SCHEMBL9398638 0.84 OPRL1 (0.39) CNR2ALDH1A1ABL1CRBNITGB3
SCHEMBL9775757 0.83 CNR2 (0.35) CNR2TLR7AR
SCHEMBL9399410 0.82 OPRL1 (0.47) CNR2ALDH1A1ABL1CRBN
SCHEMBL9399361 0.81 OPRL1 (0.46) CNR2ALDH1A1ABL1CRBN
SCHEMBL9399290 0.81 SPHK1 (0.39) CNR2ITGB3ITGA2B
SCHEMBL9399336 0.80 MAPT (0.38) CNR2ALDH1A1ITGB3ITGA2B

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