SCHEMBL20181280

SCHEMBL20181280

COCC1(n2c(C)nnc2-c2ccccn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APLNR P35414 11/20 0.52
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL22811354 0.73 APLNR (0.59) APLNR
SCHEMBL20201181 0.72 APLNR (0.49) APLNRTSHRSMN1; SMN2NPC1TP53
SCHEMBL22811337 0.72 APLNR (0.71) APLNR
SCHEMBL20181394 0.70 APLNR (0.49) APLNRTSHRSMN1; SMN2NPC1TP53
SCHEMBL20181311 0.69 APLNR (0.53) APLNRTSHRSMN1; SMN2NPC1TP53
SCHEMBL30445549 0.65 TP53 (0.47) TSHRSMN1; SMN2NPC1TP53L3MBTL1
SCHEMBL27867743 0.64 TP53 (0.46) APLNRTSHRSMN1; SMN2NPC1TP53
SCHEMBL18482477 0.63 APLNR (0.76) APLNRTSHRSMN1; SMN2NPC1TP53
SCHEMBL1959294 0.62 TP53 (0.43) APLNRTSHRSMN1; SMN2NPC1TP53
SCHEMBL31536793 0.61 GRIN1 (0.39) TSHRSMN1; SMN2NPC1TP53ALDH1A1

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-2018093580-A1 TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 WO disclosed