SCHEMBL7367257

SCHEMBL7367257

CC(C)(C)OC(=O)N1CCC(CCN2CCN(CC(=O)O)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
GPR119 Q8TDV5 6/20 0.46
HPGD P15428 1/20 0.45
ALDH1A1 P00352 2/20 0.43
FAAH O00519 1/20 0.43
RECQL P46063 1/20 0.43
EPHX1 P07099 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL21458758 0.88 KDM4E (0.48) KDM4EPKMGPR119HPGDALDH1A1
SCHEMBL27007016 0.87 HPGD (0.48) KDM4EPKMGPR119HPGDALDH1A1
SCHEMBL6152184 0.86 HPGD (0.56) KDM4EPKMGPR119HPGDFAAH
SCHEMBL3159388 0.85 HPGD (0.58) KDM4EPKMGPR119HPGDFAAH
SCHEMBL31505409 0.84 CHRM2 (0.55) GPR119HPGDALDH1A1RECQLCHRM2
SCHEMBL5604673 0.84 CHRM2 (0.55) GPR119HPGDALDH1A1RECQLCHRM2
SCHEMBL17313885 0.84 CHRM2 (0.55) GPR119HPGDALDH1A1RECQLCHRM2
SCHEMBL578032 0.84 CHRM2 (0.55) GPR119HPGDALDH1A1RECQLCHRM2
SCHEMBL21458936 0.84 CNR1 (0.45) KDM4EPKMGPR119HPGDALDH1A1
SCHEMBL11889711 0.83 HPGD (0.47) KDM4EPKMGPR119HPGDFAAH

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211183-B1 PIPERAZINE DERIVATIVE ANTICOAGULANTS; ANTIISCHEMIC AGENTS; CARDIOVASCULAR DISORDERS COR THERAPEUTICS, INC. 2001-04-03 US disclosed
EP-0975625-A1 SELECTIVE FACTOR Xa INHIBITORS COR THERAPEUTICS, INC. (US) 2000-02-02 EP disclosed
WO-1998046591-A1 SELECTIVE FACTOR Xa INHIBITORS COR THERAPEUTICS, INC. (US) 1998-10-22 WO disclosed