SCHEMBL16600776

SCHEMBL16600776

COc1ccc(CN2CCCC2=O)cc1C(=O)N1CC2CC(CN(Cc3ccccc3)C2)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
FAAH O00519 1/20 0.43
S1PR1 P21453 2/20 0.42
MAPK14 Q16539 1/20 0.42
S1PR5 Q9H228 1/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 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
SCHEMBL16601135 0.88 L3MBTL1 (0.46) L3MBTL1KDM4EALDH1A1FAAHS1PR1
SCHEMBL16601126 0.87 L3MBTL1 (0.47) L3MBTL1KDM4EALDH1A1FAAHS1PR1
SCHEMBL16600792 0.86 L3MBTL1 (0.46) L3MBTL1KDM4EALDH1A1FAAHS1PR1
SCHEMBL16600970 0.81 RAB9A (0.45) FAAHKMT2A
SCHEMBL16600968 0.81 RAB9A (0.45) FAAHKMT2A
SCHEMBL16600858 0.80 HRH3 (0.39) L3MBTL1FAAHS1PR1GAAMEN1
SCHEMBL16600857 0.80 HRH3 (0.39) L3MBTL1FAAHS1PR1GAAMEN1
SCHEMBL16601295 0.79 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1KMT2APOLB
SCHEMBL16601212 0.78 FAAH (0.37) L3MBTL1KDM4EALDH1A1FAAHMEN1
SCHEMBL16601210 0.78 FAAH (0.37) L3MBTL1KDM4EALDH1A1FAAHMEN1

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
EP-3052498-A1 3,7-DIAZABICYCLO[3.3.1]NONANE CARBOXAMIDES AS ANTITHROMBOTIC AGENTS Council of Scientific & Industrial Research (IN) 2016-08-10 EP claimed
WO-2015044951-A1 3,7-DIAZABICYCLO[3.3.1 ]NONANE CARBOXAMIDES AS ANTITHROMBOTIC AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-04-02 WO claimed
EP-3052498-A1 3,7-DIAZABICYCLO[3.3.1]NONANE CARBOXAMIDES AS ANTITHROMBOTIC AGENTS Council of Scientific & Industrial Research (IN) 2016-08-10 EP disclosed
WO-2015044951-A1 3,7-DIAZABICYCLO[3.3.1 ]NONANE CARBOXAMIDES AS ANTITHROMBOTIC AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-04-02 WO disclosed