SCHEMBL9399309

SCHEMBL9399309

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.43
ABL1 P00519 1/20 0.39
ALDH1A1 P00352 1/20 0.37
TLR7 Q9NYK1 1/20 0.35
CRBN Q96SW2 2/20 0.35
AR P10275 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
GPR119 Q8TDV5 3/20 0.33
P2RX3 P56373 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
S1PR3 Q99500 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 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
SCHEMBL9399524 0.99 CNR2 (0.43) CNR2ABL1ALDH1A1TLR7CRBN
SCHEMBL9399151 0.97 CNR2 (0.46) CNR2ABL1ALDH1A1TLR7CRBN
SCHEMBL9399715 0.97 CNR2 (0.46) CNR2ABL1ALDH1A1TLR7CRBN
SCHEMBL9399614 0.87 CNR2 (0.39) CNR2ABL1ALDH1A1TLR7CRBN
SCHEMBL9398638 0.83 OPRL1 (0.39) CNR2ABL1ALDH1A1CRBNITGB3
SCHEMBL9399361 0.82 OPRL1 (0.46) CNR2ABL1ALDH1A1CRBNGAA
SCHEMBL9775757 0.82 CNR2 (0.35) CNR2TLR7ARGAAMAPT
SCHEMBL9399336 0.81 MAPT (0.38) CNR2ALDH1A1ITGB3ITGA2BCYP3A4
SCHEMBL9399410 0.81 OPRL1 (0.47) CNR2ABL1ALDH1A1CRBN
SCHEMBL9399346 0.80 CYP3A4 (0.42) ITGB3ITGA2BCYP3A4CYP2C8CYP2D6

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