SCHEMBL383236

SCHEMBL383236

COc1ccc(S(=O)(=O)C(N)(CC(=O)O)NC(=O)c2ccc(N3CCC(Nc4ncccn4)CC3)c(OC)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.43
ITGAV P06756 1/20 0.43
ITGA2B P08514 1/20 0.43
ALDH1A1 P00352 7/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 2/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
USP30 Q70CQ3 1/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
PKM P14618 1/20 0.36
RECQL P46063 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 1/20 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
SCHEMBL7650900 0.95 ITGB3 (0.44) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL383237 0.85 ITGB3 (0.46) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL382298 0.85 ITGB3 (0.44) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL382644 0.84 ITGB3 (0.46) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL381828 0.83 DRD2 (0.43) ITGB3ITGAVITGA2BHTTDRD2
SCHEMBL382299 0.82 ITGB3 (0.42) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL383666 0.81 ITGB3 (0.46) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL7650917 0.80 ITGB3 (0.47) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL382189 0.80 ITGB3 (0.50) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL383243 0.80 ITGB3 (0.51) ITGB3ITGAVITGA2BALDH1A1LMNA

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-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP claimed
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US disclosed