SCHEMBL14367498

SCHEMBL14367498

CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(=N)c1ccc(OCCCN2CCN(CCCOc3ccc(C(=N)NC(=O)[C@H](Cc4ccccc4)NC(C)=O)cc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.54
ITGA2B P08514 5/20 0.54
HRH2 P25021 5/20 0.54
HRH1 P35367 5/20 0.54
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
KDM4E B2RXH2 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
ALDH1A1 P00352 1/20 0.44
TACR2 P21452 1/20 0.44

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
Hydrochloric Acid SCHEMBL1714169 0.99 ITGB3 (0.54) ITGB3ITGA2BHRH2HRH1BCHE
Acetic Acid SCHEMBL5624244 0.80 KDM4E (0.57) HRH2HRH1KDM4EHRH3ALDH1A1
SCHEMBL14367487 0.80 DRD2 (0.56) HRH2HRH1KDM4EHRH3
SCHEMBL14367515 0.79 ITGB3 (0.61) ITGB3ITGA2BHRH2HRH1BCHE
SCHEMBL5623727 0.77 ITGB3 (0.58) ITGB3ITGA2BHRH2HRH1BCHE
SCHEMBL5624249 0.72 HRH2 (0.50) HRH2HRH1KDM4EHRH3
SCHEMBL1714666 0.72 ITGB3 (0.52) ITGB3ITGA2BHRH2HRH1BCHE
SCHEMBL14367448 0.71 DRD2 (0.54) HRH2HRH1KDM4ENPC1RAB9A
SCHEMBL7243550 0.70 HRH2 (1.00) HRH2HRH1HRH3
SCHEMBL7246294 0.70 HRH2 (0.83) HRH2HRH1HRH3

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
US-7291617-B2 Arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-06 US disclosed