SCHEMBL20180826

SCHEMBL20180826

COc1ccnc(OC)c1-n1c(C)nnc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.56
AVPR2 P30518 3/20 0.56
APLNR P35414 6/20 0.52
OXTR P30559 3/20 0.49
KMT2A Q03164 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40

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
SCHEMBL20180776 0.83 AVPR1A (0.68) AVPR1AAVPR2APLNROXTR
SCHEMBL20207457 0.78 APLNR (0.54) APLNR
SCHEMBL18254458 0.73 APLNR (0.53) AVPR1AAVPR2APLNROXTR
SCHEMBL5832232 0.71 AVPR1A (1.00) AVPR1AAVPR2OXTR
SCHEMBL18254537 0.71 APLNR (0.76) APLNR
SCHEMBL22812857 0.71 APLNR (0.71) APLNR
SCHEMBL22812739 0.71 APLNR (0.71) APLNR
SCHEMBL22847927 0.70 AVPR1A (0.61) AVPR1AAVPR2OXTR
SCHEMBL18482477 0.69 APLNR (0.76) AVPR1AAVPR2APLNROXTRKMT2A
SCHEMBL20180784 0.69 APLNR (0.73) AVPR1AAVPR2APLNROXTR

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