SCHEMBL9775757

SCHEMBL9775757

CCCCC[C@H]1CC[C@H](CCc2ccc(-c3ccc(NCCCC)c(C)c3)cc2C)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.35
TLR7 Q9NYK1 1/20 0.33
CNR1 P21554 1/20 0.33
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
AR P10275 1/20 0.32
VDR P11473 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL9399336 0.86 MAPT (0.38) CNR2CNR1GAAMAPT
SCHEMBL9398691 0.85 RARB (0.37) CNR2CNR1GAAMAPT
SCHEMBL9398830 0.84 MAPT (0.37) CNR2CNR1GAAMAPT
SCHEMBL9399877 0.84 OPRL1 (0.41) CNR2CNR1GAAMAPT
SCHEMBL9399524 0.83 CNR2 (0.43) CNR2TLR7AR
SCHEMBL9398933 0.83 CYP3A4 (0.37) CNR2TLR7ARVDR
SCHEMBL9399626 0.82 CYP3A4 (0.39) CNR2TLR7ARVDR
SCHEMBL9399309 0.82 CNR2 (0.43) CNR2TLR7ARGAAMAPT
SCHEMBL9399384 0.80 SPHK1 (0.35) MAPT
SCHEMBL9399715 0.80 CNR2 (0.46) CNR2TLR7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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