SCHEMBL7305859

SCHEMBL7305859

COc1ccc(C[C@H](NC(=O)N(C)CCc2ccccn2)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
FPR2 P25090 1/20 0.49
HIF1A Q16665 2/20 0.47
GPR132 Q9UNW8 1/20 0.47
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
PTPN1 P18031 1/20 0.45
PPARG P37231 4/20 0.45
MEN1 O00255 2/20 0.45
MAOB P27338 1/20 0.45
GMNN O75496 1/20 0.45
EGFR P00533 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL7306601 0.92 ALDH1A1 (0.48) KMT2AKDM4EALDH1A1HIF1AMEN1
SCHEMBL7274173 0.91 KMT2A (0.51) KMT2AKDM4EALDH1A1HIF1AGPR132
SCHEMBL7301518 0.86 KMT2A (0.65) KMT2AALDH1A1FPR2ITGA4ITGB7
SCHEMBL7274220 0.82 ALDH1A1 (0.49) KMT2AKDM4EALDH1A1HIF1AGPR132
SCHEMBL27303428 0.82 ALDH1A1 (0.49) KMT2AKDM4EALDH1A1HIF1AGPR132
SCHEMBL10534728 0.81 FPR2 (0.53) KMT2AALDH1A1FPR2ITGA4ITGB7
SCHEMBL7292751 0.79 KMT2A (0.55) KMT2AALDH1A1FPR2MEN1LMNA
SCHEMBL9834187 0.77 FPR2 (0.59) KMT2AALDH1A1FPR2ITGA4ITGB7
SCHEMBL7301298 0.76 KMT2A (0.48) KMT2AALDH1A1FPR2ITGA4ITGB7
SCHEMBL7305790 0.75 CA2 (0.55) KMT2AKDM4EALDH1A1HIF1AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5063208-A Cardiovascular disorders, vision defects ABBOTT LABORATORIES (US) 1991-11-05 US disclosed
EP-0410260-A2 Peptidyl aminodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-01-30 EP disclosed