SCHEMBL8323744

SCHEMBL8323744

N=C(N)c1ccccc1N1CCN(C2CCN(CC(=O)O)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.65
ITGA2B P08514 1/20 0.65
ALOX15 P16050 2/20 0.64
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HIF1A Q16665 1/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.40
TRPV6 Q9H1D0 2/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL7337792 0.79 ITGB3 (0.71) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL6839445 0.79 ITGB3 (1.00) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7344150 0.78 ITGB3 (0.69) ITGB3ITGA2BALOX15
SCHEMBL27418902 0.77 ITGB3 (0.68) ITGB3ITGA2BALOX15KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8431411 0.77 ALOX15 (0.98) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7344590 0.74 ITGB3 (0.71) ITGB3ITGA2BALOX15KMT2AMAPT
SCHEMBL7345703 0.74 ITGB3 (0.71) ITGB3ITGA2BALOX15
Trifluoroacetic Acid SCHEMBL7347536 0.74 ITGB3 (0.63) ITGB3ITGA2BALOX15KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL7334802 0.73 ITGB3 (0.87) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL29683649 0.72 KDM4E (0.48) ALOX15KDM4EALDH1A1MEN1KMT2A

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-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