SCHEMBL8548990

SCHEMBL8548990

CC(=O)NCC(NC(=O)C1CCN(c2ccncc2)CC1)C(=O)N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.45
ITGA2B P08514 10/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 3/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
NAMPT P43490 1/20 0.41
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.39
F10 P00742 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
MAPK1 P28482 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
SCHEMBL8542353 0.92 ITGB3 (0.48) ITGB3ITGA2BALDH1A1KDM4ENPSR1
Hydrochloric Acid SCHEMBL8542083 0.91 ITGB3 (0.47) ITGB3ITGA2BALDH1A1KDM4ENPSR1
Hydrochloric Acid SCHEMBL7406826 0.87 ITGB3 (0.43) ITGB3ITGA2BALDH1A1KDM4ENPSR1
SCHEMBL8548825 0.86 ITGB3 (0.48) ITGB3ITGA2BNPSR1KMT2ANAMPT
Hydrochloric Acid SCHEMBL6786102 0.83 ITGB3 (0.47) ITGB3ITGA2BKMT2AMEN1F10
SCHEMBL8543970 0.82 F10 (0.38) ITGB3ITGA2BTSHRF10
SCHEMBL6792717 0.82 ITGB3 (0.48) ITGB3ITGA2BKDM4ENAMPT
SCHEMBL6790212 0.79 ITGB3 (0.60) ITGB3ITGA2BKDM4ENPSR1KMT2A
SCHEMBL6792152 0.79 ITGB3 (0.69) ITGB3ITGA2BF10
SCHEMBL6793529 0.79 CCR1 (0.44) ITGB3ITGA2BKMT2AMEN1F10

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
EP-0783500-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LTD (GB) 1998-07-22 EP disclosed