SCHEMBL7654273

SCHEMBL7654273

O=C(CCNC(=O)c1ccc(N2CCN(c3nc4ccccc4[nH]3)CC2)cc1)ONS(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
HTR2B P41595 1/20 0.44
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
HDAC6 Q9UBN7 3/20 0.42
MGLL Q99685 4/20 0.40
THRB P10828 1/20 0.39
ACHE P22303 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
SORD Q00796 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
OPRM1 P35372 1/20 0.39

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
SCHEMBL7655325 0.89 DRD4 (0.52) KDM4ETSHRTHRBSMN1; SMN2
SCHEMBL7656383 0.86 ITGB3 (0.44) MAPTTP53HTR2BKDM4ETSHR
SCHEMBL7658795 0.82 KDM4E (0.55) KDM4EITGB3ITGA2BHDAC6SMN1; SMN2
SCHEMBL7651216 0.80 ITGB3 (0.68) MAPTTP53HTR2BITGB3ITGA2B
SCHEMBL7657964 0.79 KDM4E (0.52) KDM4ETSHRITGB3ITGA2BHDAC6
SCHEMBL7655429 0.77 ITGB3 (0.44) KDM4EITGB3ITGA2B
SCHEMBL7651229 0.77 TP53 (0.46) MAPTTP53HTR2BKDM4ETSHR
SCHEMBL382763 0.76 ITGB3 (0.48) KDM4EITGB3ITGA2B
SCHEMBL7655428 0.75 HPGDS (0.44) ITGB3ITGA2B
SCHEMBL7662225 0.75 ITGB3 (0.42) MAPTKDM4ETSHRITGB3ITGA2B

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