SCHEMBL20180812

SCHEMBL20180812

COc1ccc(N2CCC2=O)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.50
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CMA1 P23946 1/20 0.45
HTT P42858 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DOCK5 Q9H7D0 1/20 0.42
LMNA P02545 4/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 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
SCHEMBL20180887 0.91 SMN1; SMN2 (0.56) MAPTSMN1; SMN2HTTHIF1ANPSR1
SCHEMBL11815757 0.87 LMNA (0.55) APLNRMAPTSMN1; SMN2CMA1HTT
SCHEMBL22537380 0.83 APLNR (0.46) APLNRMAPTSMN1; SMN2CMA1HTT
SCHEMBL28665110 0.83 MAPT (0.48) APLNRMAPTSMN1; SMN2HTTHIF1A
SCHEMBL29948080 0.83 MAPT (0.48) APLNRMAPTSMN1; SMN2HTTHIF1A
SCHEMBL11820492 0.81 PKM (0.49) MAPTSMN1; SMN2CMA1HTTNPSR1
SCHEMBL17151141 0.81 PTGS2 (0.46) APLNRCMA1KMT2AKDM4EALDH1A1
SCHEMBL21376423 0.80 APLNR (0.45) APLNRMAPTSMN1; SMN2HTTHIF1A
SCHEMBL21376742 0.80 APLNR (0.45) APLNRMAPTSMN1; SMN2CMA1HTT
SCHEMBL11819635 0.79 ATM (0.46) APLNRMAPTSMN1; SMN2CMA1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541810-B1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
EP-3541805-B1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC (US) 2020-10-14 EP disclosed
WO-2018097945-A1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC. (US) 2018-05-31 WO disclosed
WO-2018093579-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 WO disclosed