SCHEMBL7274173

SCHEMBL7274173

CN(CCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
CA2 P00918 2/20 0.51
GPR132 Q9UNW8 1/20 0.50
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD11B1 P28845 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
MME P08473 2/20 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
SCHEMBL7305859 0.91 KMT2A (0.52) KMT2AGPR132ALDH1A1CYP2D6MAPT
SCHEMBL7274220 0.88 ALDH1A1 (0.49) KMT2ACA2GPR132ALDH1A1NPC1
SCHEMBL27303428 0.88 ALDH1A1 (0.49) KMT2ACA2GPR132ALDH1A1NPC1
SCHEMBL5879436 0.82 ALDH1A1 (0.50) KMT2ACA2ALDH1A1NPC1POLB
SCHEMBL5879498 0.82 ALDH1A1 (0.50) KMT2ACA2ALDH1A1NPC1POLB
SCHEMBL6656758 0.82 ALDH1A1 (0.50) KMT2ACA2ALDH1A1NPC1POLB
SCHEMBL7306601 0.82 ALDH1A1 (0.48) KMT2AALDH1A1NPC1RAB9AKDM4E
SCHEMBL7303820 0.82 OPRM1 (0.50) KMT2ACA2ALDH1A1NPC1POLB
SCHEMBL19290059 0.81 ALDH1A1 (0.49) KMT2ACA2ALDH1A1NPC1POLB
SCHEMBL7305790 0.81 CA2 (0.55) KMT2ACA2ALDH1A1NPC1POLB

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
US-5491132-A HYPOTENSIVE AGENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-13 US disclosed
EP-0476515-A1 New amino acid derivatives, a process for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-25 EP disclosed
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