SCHEMBL7651226

SCHEMBL7651226

O=C(O)[C@H](CN(Cc1ccccc1)Cc1ccc(N2CCN(c3ncccn3)CC2)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
RORC P51449 8/20 0.43
ITGAV P06756 1/20 0.43
MLLT1 Q03111 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MDM2 Q00987 1/20 0.42
MMP2 P08253 4/20 0.41
MMP9 P14780 3/20 0.41
ADAMTS4 O75173 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7653489 0.90 ITGB3 (0.46) ITGB3ITGA2BRORCITGAVMLLT1
SCHEMBL7652565 0.84 ITGB3 (0.52) ITGB3ITGA2BRORCITGAV
SCHEMBL7652999 0.83 ITGB3 (0.52) ITGB3ITGA2BITGAVALDH1A1MDM2
SCHEMBL7651238 0.81 LMNA (0.41) ITGB3ITGA2BRORCMLLT1ALDH1A1
SCHEMBL7649922 0.79 ITGB3 (0.47) ITGB3ITGA2BITGAVALDH1A1MDM2
SCHEMBL7654405 0.79 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL7653549 0.79 ITGB3 (0.47) ITGB3ITGA2BITGAVALDH1A1MMP2
SCHEMBL7653506 0.79 NPC1 (0.42) ITGB3ITGA2BRORCMLLT1ALDH1A1
SCHEMBL7654222 0.78 ITGB3 (0.72) ITGB3ITGA2BRORCITGAV
SCHEMBL7653684 0.77 ITGB3 (0.70) ITGB3ITGA2BITGAV

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