SCHEMBL20180776

SCHEMBL20180776

COc1cccc(OC)c1-n1c(C)nnc1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.68
AVPR2 P30518 4/20 0.68
OXTR P30559 3/20 0.56
APLNR P35414 8/20 0.53

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
SCHEMBL20515259 0.84 AVPR2 (0.54) AVPR1AAVPR2OXTRAPLNR
SCHEMBL20180784 0.84 APLNR (0.73) AVPR1AAVPR2OXTRAPLNR
SCHEMBL18254537 0.84 APLNR (0.76) APLNR
SCHEMBL20180826 0.83 AVPR1A (0.56) AVPR1AAVPR2OXTRAPLNR
SCHEMBL5832232 0.81 AVPR1A (1.00) AVPR1AAVPR2OXTR
SCHEMBL18254542 0.81 APLNR (0.54) AVPR1AAVPR2OXTRAPLNR
SCHEMBL20207289 0.81 APLNR (0.54) AVPR1AAVPR2OXTRAPLNR
SCHEMBL18254139 0.80 APLNR (0.61) APLNR
SCHEMBL18254458 0.80 APLNR (0.53) AVPR1AAVPR2OXTRAPLNR
SCHEMBL22847927 0.80 AVPR1A (0.61) AVPR1AAVPR2OXTR

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-2018093579-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 WO disclosed