SCHEMBL7365403

SCHEMBL7365403

CC(C)(C)OC(=O)N1CCC(CCN2CCN(C3CCNCC3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
GPR119 Q8TDV5 10/20 0.41
ALDH1A1 P00352 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL27162825 0.89 KDM4E (0.42) KDM4EPKMHPGDGPR119ALDH1A1
SCHEMBL20075951 0.89 ALDH1A1 (0.44) HPGDGPR119ALDH1A1
SCHEMBL7358506 0.89 HPGD (0.46) KDM4EPKMHPGDGPR119FAAH
SCHEMBL8912276 0.85 GPR119 (0.40) KDM4EPKMHPGDGPR119ALDH1A1
SCHEMBL27162479 0.84 NR1H2 (0.41) KDM4EPKMHPGDGPR119ALDH1A1
SCHEMBL118661 0.84 HPGD (0.48) KDM4EHPGDGPR119ALDH1A1
SCHEMBL24481256 0.84 CNR1 (0.41) KDM4EPKMHPGDALDH1A1
SCHEMBL27007016 0.83 HPGD (0.48) KDM4EPKMHPGDGPR119ALDH1A1
SCHEMBL27314016 0.83 KDM4E (0.41) KDM4EPKMHPGDGPR119FAAH
SCHEMBL7360145 0.83 ALDH1A1 (0.42) KDM4EPKMHPGDGPR119ALDH1A1

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