SCHEMBL7360145

SCHEMBL7360145

COC(=O)CN1CCC(N2CCN(CCC3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHX1 P07099 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
GPR119 Q8TDV5 7/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
HPGD P15428 1/20 0.38
FAAH O00519 1/20 0.37
CHRM4 P08173 1/20 0.37

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
SCHEMBL8912276 0.93 GPR119 (0.40) ALDH1A1KDM4EPKMNPC1MAPT
SCHEMBL7368909 0.91 SMN1; SMN2 (0.43) ALDH1A1KDM4EPKMNPC1MAPT
SCHEMBL7365403 0.83 KDM4E (0.41) ALDH1A1KDM4EPKMGPR119HPGD
SCHEMBL7340706 0.82 GPR119 (0.51) ALDH1A1EPHX1PTPN2PTPN1PTPN6
SCHEMBL31657251 0.81 KDM4E (0.46) ALDH1A1KDM4EPKMNPC1MAPT
SCHEMBL25329388 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EPKMNPC1MAPT
SCHEMBL1207110 0.80 KDM4E (0.46) ALDH1A1KDM4EPKMEPHX1PTPN2
SCHEMBL7367257 0.80 KDM4E (0.47) ALDH1A1KDM4EPKMNPC1MAPT
SCHEMBL30737084 0.80 NR1H2 (0.43) ALDH1A1NPC1MAPTMAPK1HTT
Hydrochloric Acid SCHEMBL8477692 0.80 GNAO1 (0.40) L3MBTL1CHRM4

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-5994356-A ANTICOAGULANT KARL THOMAE (DE) 1999-11-30 US disclosed
EP-0892783-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION Dr. Karl Thomae GmbH (DE) 1999-01-27 EP disclosed
WO-1997037975-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION DR. KARL THOMAE GMBH (DE) 1997-10-16 WO disclosed