SCHEMBL20201181

SCHEMBL20201181

COCC1(n2c(C)nnc2-c2ccc(C)o2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APLNR P35414 9/20 0.49
MAPT P10636 4/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
KDM4E B2RXH2 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
LMNA P02545 2/20 0.31
PKM P14618 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL22810495 0.69 APLNR (0.72) APLNR
SCHEMBL21328298 0.68 APLNR (1.00) APLNR
SCHEMBL12578009 0.61 TDP1 (0.67) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL20200907 0.61 APLNR (0.52) APLNR
SCHEMBL20201183 0.60 APLNR (0.52) APLNR
SCHEMBL11983826 0.59 TDP1 (0.62) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL21929982 0.59 TDP1 (0.62) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL10064162 0.59 TDP1 (0.62) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL22805586 0.56 MGLL (0.32) MAPTALDH1A1LMNANPSR1
SCHEMBL14557181 0.55 ALDH1A1 (0.40) MAPTALDH1A1HPGDSMN1; SMN2KDM4E

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