SCHEMBL9399715

SCHEMBL9399715

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.46
ABL1 P00519 1/20 0.42
ALDH1A1 P00352 1/20 0.40
GPR119 Q8TDV5 2/20 0.35
ACHE P22303 3/20 0.34
PLK1 P53350 3/20 0.33
P2RX3 P56373 2/20 0.33
CRBN Q96SW2 1/20 0.33
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL9399151 1.00 CNR2 (0.46) CNR2ABL1ALDH1A1GPR119ACHE
SCHEMBL9399309 0.97 CNR2 (0.43) CNR2ABL1ALDH1A1GPR119P2RX3
SCHEMBL9399524 0.96 CNR2 (0.43) CNR2ABL1ALDH1A1GPR119P2RX3
SCHEMBL9399614 0.85 CNR2 (0.39) CNR2ABL1ALDH1A1CRBNTLR7
SCHEMBL9399383 0.82 OPRL1 (0.46) CNR2ABL1ALDH1A1GPR119
SCHEMBL9399166 0.82 OPRL1 (0.46) CNR2ABL1ALDH1A1GPR119
SCHEMBL9399336 0.81 MAPT (0.38) CNR2ALDH1A1
SCHEMBL9398638 0.81 OPRL1 (0.39) CNR2ABL1ALDH1A1CRBN
SCHEMBL9399346 0.80 CYP3A4 (0.42)
SCHEMBL9399361 0.80 OPRL1 (0.46) 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