SCHEMBL7651659

SCHEMBL7651659

NC(CC(=O)O)NC(=O)c1ccc(N2CCN(c3ncccn3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 4/20 0.46
HTT P42858 2/20 0.46
SLC6A7 Q99884 4/20 0.44
APP P05067 1/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR1A P08908 1/20 0.42
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL6799312 0.87 RAB9A (0.55) RAB9ANPC1CA1CA2CA7
SCHEMBL7651579 0.83 NPC1 (0.51) RAB9ANPC1CA1CA2CA7
SCHEMBL382964 0.83 CASR (0.45)
SCHEMBL7655263 0.83 DPP4 (0.42) RAB9ANPC1MAPTLMNAKDM4E
SCHEMBL6375221 0.81 RAB9A (0.67) RAB9ANPC1CA1CA2CA7
SCHEMBL7651633 0.80 NPC1 (0.55) RAB9ANPC1CA1CA2CA7
SCHEMBL7654428 0.79 ITGB3 (0.48) RAB9ANPC1CA1CA2CA7
SCHEMBL7658323 0.78 JAK2 (0.41)
SCHEMBL7651277 0.78 SLC6A7 (0.47) RAB9ANPC1MAPTLMNAKDM4E
SCHEMBL7655169 0.77 KDM4E (0.67) RAB9ANPC1CA1CA2CA7

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