SCHEMBL6601611

SCHEMBL6601611

CC(C(=O)OCc1ccccc1)N1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4cccnc4)cc3)C(=O)O2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
SIGMAR1 Q99720 4/20 0.39
LMNA P02545 5/20 0.38
TP53 P04637 1/20 0.38
GFER P55789 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HDAC1 Q13547 1/20 0.37
HTR2B P41595 1/20 0.36
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35

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
SCHEMBL7638254 0.94 ITGB3 (0.37) ITGB3ITGA2BSMN1; SMN2MAPTMAPK1
SCHEMBL6603052 0.94 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1HTR2BPRSS1
SCHEMBL6599780 0.92 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6602426 0.91 ITGB3 (0.46) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6602220 0.90 ITGB3 (0.43) ITGB3ITGA2BSMN1; SMN2MAPTMAPK1
SCHEMBL7314982 0.90 ITGB3 (0.42) ITGB3ITGA2BSMN1; SMN2MAPTMAPK1
SCHEMBL6602124 0.89 ITGB3 (0.46) ITGB3ITGA2BSIGMAR1HTR2BPRSS1
SCHEMBL6605992 0.89 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1HTR2BPRSS1
SCHEMBL6602674 0.89 ITGB3 (0.42) ITGB3ITGA2BSIGMAR1HTR2BADRA2A
SCHEMBL6602405 0.89 ITGB3 (0.48) ITGB3ITGA2BSMN1; SMN2MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741133-B1 Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2004-01-28 EP disclosed
EP-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed