SCHEMBL8323660

SCHEMBL8323660

O=C(O)CC1CCCc2cc(C(=O)NCc3nc4ccccc4[nH]3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.59
ITGAV P06756 13/20 0.59
ITGA2B P08514 2/20 0.57
TSHR P16473 1/20 0.52
MAPK10 P53779 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 1/20 0.51
ROCK2 O75116 1/20 0.50
POLB P06746 2/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL7091404 0.82 ITGB3 (0.71) ITGB3ITGAVITGA2BTSHRMAPK10
SCHEMBL8328260 0.80 ALDH1A1 (0.50) ITGB3ITGAVKMT2APOLBMAPT
SCHEMBL7442340 0.77 ITGB3 (0.59) ITGB3ITGAVITGA2BTSHRMAPK10
SCHEMBL6951803 0.77 ITGB3 (0.73) ITGB3ITGAVITGA2BTSHRMAPK10
SCHEMBL1789085 0.75 SMN1; SMN2 (0.54) ITGB3ITGAVITGA2BTSHRMAPK10
SCHEMBL7917702 0.74 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL8468930 0.74 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7360585 0.74 ITGB3 (0.72) ITGB3ITGAVITGA2BTSHRMAPK10
SCHEMBL7080320 0.74 MAPT (0.73) TSHRMAPK10SMN1; SMN2KMT2APOLB
SCHEMBL7333365 0.72 ITGB3 (1.00) ITGB3ITGAVITGA2B

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
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP claimed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP claimed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO claimed