SCHEMBL7328877

SCHEMBL7328877

N=C(N)c1ccccc1N1CCCC(C(=O)O)C1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 0.55
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC6A1 P30531 4/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL2558871 0.89 NPC1 (0.61) NOTUMNPC1ALDH1A1KDM4EMEN1
SCHEMBL15330260 0.81 NOTUM (0.68) NOTUMNPC1
SCHEMBL2070104 0.81 NOTUM (0.53) NOTUMALDH1A1KDM4EMEN1KMT2A
SCHEMBL7444262 0.78 NOTUM (0.60) NOTUMALDH1A1KDM4EMEN1KMT2A
SCHEMBL3436333 0.78 NOTUM (0.60) NOTUMALDH1A1KDM4EMEN1KMT2A
SCHEMBL1193397 0.76 NPC1 (0.66) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL15331377 0.76 NOTUM (0.55) NOTUMALDH1A1KDM4EMEN1KMT2A
SCHEMBL15330773 0.76 NOTUM (0.57) NOTUMALDH1A1KDM4EMEN1KMT2A
SCHEMBL29952767 0.76 NOTUM (0.57) NOTUMALDH1A1KDM4EMEN1KMT2A
SCHEMBL29950827 0.76 NOTUM (0.57) NOTUMALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-5977101-A Benzimidazoles/Imidazoles Linked to a Fibrinogen Receptor Antagonist Template Having Vitronectin Receptor Antagonist Activity SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 US disclosed
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO disclosed