SCHEMBL7651401

SCHEMBL7651401

CCCN(CCC(=O)ONS(=O)(=O)c1ccccc1)C(=O)c1ccc(N2CCN(c3ncccn3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 4/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
LIMK1 P53667 2/20 0.41
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL7653553 0.88 HTR2A (0.45) DRD2HTR1AHTR2ANPC1RAB9A
SCHEMBL7658795 0.81 KDM4E (0.55) HTR1AHTR2ANPC1RAB9ASMN1; SMN2
SCHEMBL7649922 0.80 ITGB3 (0.47) DRD2HTR1AHTR2ANPC1RAB9A
SCHEMBL7657964 0.78 KDM4E (0.52) HTR1AHTR2ANPC1RAB9ASMN1; SMN2
SCHEMBL7651464 0.78 HTR1A (0.41) DRD2HTR1AHTR2ANPC1TLR8
SCHEMBL7654144 0.77 CA1 (0.43) HTR1ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7649933 0.75 NPC1 (0.43) DRD2HTR1AHTR2ANPC1RAB9A
SCHEMBL7463691 0.73 KDM4E (0.52) HTR1AHTR2ARAB9ASMN1; SMN2LMNA
SCHEMBL7654380 0.72 DRD2 (0.44) DRD2SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL7653683 0.72 KDM4E (0.44) DRD2SMN1; SMN2LMNAKDM4EALDH1A1

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