SCHEMBL7652085

SCHEMBL7652085

C[C@H]1CN(c2ccc(C(=O)NC[C@H](N)C(=O)O)cc2)CCN1C1=NCCCN1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.45
ITGAV P06756 13/20 0.45
ITGA2B P08514 13/20 0.45
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
ADRB1 P08588 3/20 0.36
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7652072 0.93 ITGB3 (0.42) ITGB3ITGAVITGA2BJAK2JAK1
SCHEMBL7658303 0.86 ITGB3 (0.49) ITGB3ITGAVITGA2BJAK2JAK1
SCHEMBL7652768 0.83 ITGB3 (0.68) ITGB3ITGAVITGA2B
SCHEMBL7651954 0.83 ITGB3 (0.68) ITGB3ITGAVITGA2B
SCHEMBL7657626 0.83 ITGB3 (0.68) ITGB3ITGAVITGA2B
SCHEMBL7656171 0.82 ITGB3 (0.48) ITGB3ITGAVITGA2B
SCHEMBL7652759 0.77 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL383017 0.76 ITGB3 (0.70) ITGB3ITGAVITGA2B
SCHEMBL7654471 0.76 ITGB3 (0.52) ITGB3ITGAVITGA2BMEN1ALDH1A1
SCHEMBL7651967 0.75 ITGB3 (0.49) ITGB3ITGAVITGA2BADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6451800-B1 Phenylpiperazine derivatives as integrin αvβ3 antagonists MEIJI SEIKA KAISHA, LTD. (JP) 2002-09-17 US claimed
EP-1057818-A1 PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2000-12-06 EP claimed
US-6451800-B1 Phenylpiperazine derivatives as integrin αvβ3 antagonists MEIJI SEIKA KAISHA, LTD. (JP) 2002-09-17 US disclosed
EP-1057818-A1 PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2000-12-06 EP disclosed