SCHEMBL7658155

SCHEMBL7658155

CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)NC(CC(=O)O)NS(=O)(=O)c3ccccc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 3/20 0.49
BCL2 P10415 1/20 0.48
BCL2L1 Q07817 1/20 0.48
TGFBR1 P36897 3/20 0.48
ESRRB O95718 1/20 0.45
ESR1 P03372 1/20 0.45
ESRRA P11474 1/20 0.45
ESRRG P62508 1/20 0.45
NAMPT P43490 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
GPR119 Q8TDV5 2/20 0.44
ALDH1A1 P00352 3/20 0.44

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
SCHEMBL7664593 0.84 CCR5 (0.44) MEN1KMT2ATGFBR1NAMPTITGB3
SCHEMBL7651979 0.83 ITGB3 (0.47) MAPTLMNAESRRGITGB3ITGA2B
SCHEMBL26683376 0.83 BCL2 (0.60) MEN1KMT2ASMN1; SMN2CYP2C19HTT
SCHEMBL7658148 0.82 ITGB3 (0.68) MEN1KMT2ASMN1; SMN2CYP2C19HTT
SCHEMBL383059 0.81 ITGB3 (0.43) MEN1KMT2AMAPTLMNABCL2
SCHEMBL7654428 0.81 ITGB3 (0.48) SMN1; SMN2HTTMAPTLMNAITGB3
SCHEMBL7474671 0.78 TGFBR1 (0.60) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL382554 0.77 MMP13 (0.39) SMN1; SMN2LMNAITGB3ITGA2BALDH1A1
SCHEMBL12720262 0.77 KMT2A (0.64) MEN1KMT2ASMN1; SMN2CYP2C19HTT
SCHEMBL27551456 0.76 ITGB3 (0.51) MEN1KMT2AMAPTITGB3ITGA2B

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 2 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 disclosed
EP-1057818-A1 PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2000-12-06 EP disclosed