SCHEMBL7657531

SCHEMBL7657531

CCOC(=O)c1ccc(N2CCCN(c3ncccn3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.61
NPC1 O15118 1/20 0.61
METAP1 P53582 1/20 0.55
MAPT P10636 5/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.49
SLC6A7 Q99884 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
MEN1 O00255 3/20 0.48
PSMD14 O00487 1/20 0.48
MMP2 P08253 1/20 0.48
HPGD P15428 1/20 0.48
ADORA3 P0DMS8 1/20 0.48

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
SCHEMBL6374844 0.96 RAB9A (0.66) RAB9ANPC1METAP1MAPTKMT2A
SCHEMBL20187714 0.88 HPGD (0.59) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL28242074 0.87 HPGD (0.61) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL3898465 0.84 HPGD (0.61) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL20188098 0.84 HPGD (0.65) RAB9ANPC1METAP1MAPTKMT2A
SCHEMBL22015905 0.84 HPGD (0.65) RAB9ANPC1METAP1MAPTKMT2A
SCHEMBL6498262 0.82 MAPT (0.54) RAB9ANPC1METAP1MAPTKMT2A
SCHEMBL6374746 0.82 KDM4E (0.71) RAB9ANPC1METAP1MAPTKMT2A
SCHEMBL3900474 0.82 SIRT2 (0.60) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL7958507 0.81 HPGD (0.55) METAP1MAPTKMT2AALDH1A1HTT

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