SCHEMBL7418538

SCHEMBL7418538

N=C(N)c1ccccc1CCCCNC(=O)[C@H](O)CCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
F10 P00742 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
ITGB3 P05106 4/20 0.37
ITGA2B P08514 4/20 0.37
MMP8 P22894 1/20 0.37
SLC6A5 Q9Y345 1/20 0.36

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
SCHEMBL7412408 0.79 ITGB3 (0.61) LMNATSHRF10ITGB3ITGA2B
SCHEMBL7412411 0.79 ITGB3 (0.61) LMNATSHRF10ITGB3ITGA2B
SCHEMBL7418544 0.78 LMNA (0.38) LMNATSHRCYP2D6CYP2C9CYP2C19
SCHEMBL4779824 0.70 LMNA (0.59) LMNATSHRCYP2D6CYP2C9CYP2C19
SCHEMBL27742525 0.70 LMNA (0.59) LMNATSHRCYP2D6CYP2C9CYP2C19
SCHEMBL4780175 0.69 LMNA (0.57) LMNATSHRCYP2D6CYP2C9CYP2C19
SCHEMBL7418987 0.68 LMNA (0.41) LMNATSHRCYP2D6CYP2C9CYP2C19
SCHEMBL7421017 0.68 ITGB3 (0.61) F10ITGB3ITGA2B
SCHEMBL7422860 0.68 ITGB3 (0.61) F10ITGB3ITGA2B
SCHEMBL6011851 0.67 KIF11 (0.44) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552431-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-09-03 US disclosed
US-5424334-A Peptide mimetic compounds useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-06-13 US disclosed
WO-1993012074-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-06-24 WO disclosed