SCHEMBL7653161

SCHEMBL7653161

CN(C(CNC(=O)c1ccc(N2CCN(c3ncccn3)CC2)cc1)C(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
HTT P42858 3/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2C19 P33261 1/20 0.39
ITGAV P06756 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
ADRB2 P07550 1/20 0.38

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
SCHEMBL7649732 0.89 ITGB3 (0.48) ITGB3ITGA2BNPC1RAB9ACA1
SCHEMBL382881 0.88 ITGB3 (0.47) ITGB3ITGA2BHTTSMN1; SMN2KMT2A
SCHEMBL7651416 0.86 ITGB3 (0.38) ITGB3ITGA2BNPC1RAB9ACA1
SCHEMBL7653165 0.82 ITGB3 (0.45) ITGB3ITGA2BNPC1RAB9ACA1
SCHEMBL7651421 0.79 ITGB3 (0.42) ITGB3ITGA2BNPC1RAB9ACA1
SCHEMBL7652514 0.76 ITGB3 (0.43) ITGB3ITGA2BNPC1RAB9ACA1
SCHEMBL382309 0.76 ITGB3 (0.53) ITGB3ITGA2BKDM4ESMN1; SMN2KMT2A
SCHEMBL7655271 0.74 ITGB3 (0.53) ITGB3ITGA2BITGAVLMNAALDH1A1
SCHEMBL7654405 0.73 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL7649706 0.72 ITGB3 (0.55) ITGB3ITGA2BNPC1RAB9ACA1

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