SCHEMBL7533398

SCHEMBL7533398

CCOC(=O)C[C@H](NC(=O)CC1CCCN(c2ccc(C=NN)cc2)C1=O)c1ccoc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
ITGB3 P05106 4/20 0.32
ITGA2B P08514 4/20 0.32
KCNK3 O14649 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8117189 0.90 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL7410872 0.89 LMNA (0.42) LMNAITGB3ITGA2BKCNK3MEN1
SCHEMBL7533390 0.87 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7533394 0.87 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7532341 0.87 POLB (0.42) LMNAKCNK3MEN1ALDH1A1KMT2A
SCHEMBL7421599 0.87 SMN1; SMN2 (0.36) LMNAITGB3ITGA2BKCNK3ALDH1A1
SCHEMBL7420056 0.86 LMNA (0.33) LMNAITGB3ITGA2BMEN1ALDH1A1
SCHEMBL7416655 0.85 ITGB3 (0.36) ITGB3ITGA2B
SCHEMBL7421037 0.85 ITGB3 (0.36) ITGB3ITGA2BMEN1ALDH1A1KMT2A
SCHEMBL7418875 0.85 ITGB3 (0.36) ITGB3ITGA2BMEN1ALDH1A1KMT2A

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
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO disclosed