SCHEMBL7653553

SCHEMBL7653553

O=C(CCN(CC1CC1)C(=O)c1ccc(N2CCN(c3ncccn3)CC2)cc1)ONS(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.45
HTR1A P08908 3/20 0.45
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
DRD2 P14416 2/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
LMNA P02545 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 3/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
GAA P10253 1/20 0.37
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
TSHR P16473 1/20 0.36
LIMK2 P53671 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
SCHEMBL7651464 0.89 HTR1A (0.41) HTR2AHTR1ANPC1DRD2ALDH1A1
SCHEMBL7651401 0.88 DRD2 (0.43) HTR2AHTR1ANPC1RAB9ADRD2
SCHEMBL7653549 0.80 ITGB3 (0.47) HTR2AHTR1ANPC1RAB9AALDH1A1
SCHEMBL7658795 0.79 KDM4E (0.55) HTR2AHTR1ANPC1RAB9ASMN1; SMN2
SCHEMBL7657964 0.77 KDM4E (0.52) HTR2AHTR1ANPC1RAB9ASMN1; SMN2
SCHEMBL7654144 0.76 CA1 (0.43) HTR1ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7653577 0.75 NPC1 (0.41) HTR2AHTR1ANPC1RAB9ASMN1; SMN2
SCHEMBL382416 0.74 HTR2A (0.41) HTR2AHTR1ADRD2SMN1; SMN2MAPK1
SCHEMBL7463691 0.72 KDM4E (0.52) HTR2AHTR1ARAB9ASMN1; SMN2LMNA
SCHEMBL27569828 0.71 ITGB3 (0.39) DRD2LMNAALDH1A1MAPK1TSHR

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