SCHEMBL9758964

SCHEMBL9758964

CCCCC/C=C\C1(C#N)CCC(C2CCC(CCCCC)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
FAAH O00519 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
SCHEMBL9758960 1.00 CYP1A2 (0.31) CYP1A2FAAH
SCHEMBL9757737 0.99 FAAH (0.30) CYP1A2FAAH
SCHEMBL9757843 0.99 FAAH (0.30) CYP1A2FAAH
SCHEMBL9757836 0.99 FAAH (0.30) CYP1A2FAAH
SCHEMBL9757742 0.99 FAAH (0.30) CYP1A2FAAH
SCHEMBL9759337 0.97
SCHEMBL9759342 0.97
SCHEMBL9758639 0.97 CYP1A2 (0.34) CYP1A2FAAH
SCHEMBL9758633 0.97 CYP1A2 (0.34) CYP1A2FAAH
SCHEMBL9758176 0.96 CYP1A2 (0.30) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985583-A Liquid Crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-01-15 US disclosed