SCHEMBL10901019

SCHEMBL10901019

CCCCCCCCCCOC(=O)CC(=O)CCC

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.71
NAAA Q02083 1/20 0.62
HTR2C P28335 1/20 0.59
DGKA P23743 1/20 0.57
EPHX1 P07099 1/20 0.53
RAD52 P43351 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
DNM1 Q05193 1/20 0.47
ACHE P22303 6/20 0.47
TSHR P16473 2/20 0.47

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
SCHEMBL10890203 1.00 FAAH (0.71) FAAHNAAAHTR2CDGKAEPHX1
SCHEMBL28111138 1.00 FAAH (0.71) FAAHNAAAHTR2CDGKAEPHX1
SCHEMBL28142323 1.00 FAAH (0.71) FAAHNAAAHTR2CDGKAEPHX1
SCHEMBL10604404 1.00 FAAH (0.71) FAAHNAAAHTR2CDGKAEPHX1
SCHEMBL10605569 1.00 FAAH (0.71) FAAHNAAAHTR2CDGKAEPHX1
SCHEMBL10602947 0.98 FAAH (0.68) FAAHNAAAHTR2CDGKAEPHX1
SCHEMBL1906190 0.92 FAAH (0.71) FAAHNAAAHTR2CDGKAEPHX1
SCHEMBL7914174 0.92 FAAH (0.71) FAAHNAAAHTR2CDGKAEPHX1
SCHEMBL1318219 0.92 FAAH (0.71) FAAHNAAAHTR2CDGKAEPHX1
SCHEMBL9245668 0.92 FAAH (0.71) FAAHNAAAHTR2CDGKAEPHX1

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-4622332-A Asymmetric diesters of Hantzsch dihydropyridines with hypotensive activity BAYER AKTIENGESELLSCHAFT (DE) 1986-11-11 US disclosed