SCHEMBL20201124

SCHEMBL20201124

COc1cccc(OC)c1-n1c(-c2ccco2)nnc1N(CCSI)SC1CON(C)C1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
APLNR P35414 19/20 0.40
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL20200769 0.81 APLNR (0.41) APLNRNPC1ALDH1A1
SCHEMBL20201117 0.81 APLNR (0.42) APLNRNPC1ALDH1A1
SCHEMBL20201071 0.80 APLNR (0.57) APLNR
SCHEMBL20201129 0.78 APLNR (0.42) APLNR
SCHEMBL20200894 0.76 ALDH1A1 (0.49) APLNRNPC1ALDH1A1
SCHEMBL20201084 0.76 APLNR (0.47) APLNR
SCHEMBL20201134 0.75 APLNR (0.51) APLNR
SCHEMBL21339359 0.74 APLNR (0.46) APLNR
SCHEMBL21339423 0.73 APLNR (0.45) APLNR
SCHEMBL20201110 0.73 APLNR (0.49) APLNR

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
WO-2018097944-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-31 WO disclosed