SCHEMBL7652576

SCHEMBL7652576

O=C(O)CC(NS(=O)(=O)c1ccccc1)N(Cc1ccccc1)Cc1ccc(N2CCN(C3=NCCCN3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.45
ITGA2B P08514 9/20 0.45
ITGAV P06756 8/20 0.45
ITGB1 P05556 1/20 0.38
ITGB5 P18084 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
RORC P51449 8/20 0.37
RORB Q92753 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL7654998 0.91 ITGB3 (0.44) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7654234 0.86 ITGB3 (0.63) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7651238 0.84 LMNA (0.41) ITGB3ITGA2BRORCRORBALDH1A1
SCHEMBL7649721 0.84 ITGB3 (0.45) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7652565 0.83 ITGB3 (0.52) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7653746 0.81 ITGB3 (0.46) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7650148 0.81 ITGB3 (0.48) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7654994 0.81 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7651202 0.80 ITGB3 (0.53) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7649709 0.79 ITGB3 (0.56) ITGB3ITGA2BITGAVITGB1ITGB5

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