SCHEMBL16601295

SCHEMBL16601295

Cc1ccc(CN2CCCC2=O)cc1C(=O)N1CC2CC(CN(C(=O)c3ccccc3)C2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39

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 0.91 L3MBTL1 (0.46) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL16601074 0.86 CHRNA4 (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL16600968 0.85 RAB9A (0.45) RAB9AMAPK1KMT2A
SCHEMBL16600970 0.85 RAB9A (0.45) RAB9AMAPK1KMT2A
SCHEMBL16601212 0.85 FAAH (0.37) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL16601210 0.85 FAAH (0.37) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL16600857 0.84 HRH3 (0.39) L3MBTL1RAB9AMAPK1KMT2APARP1
SCHEMBL16600858 0.84 HRH3 (0.39) L3MBTL1RAB9AMAPK1KMT2APARP1
SCHEMBL16601126 0.80 L3MBTL1 (0.47) L3MBTL1ALDH1A1KDM4EMAPTHPGD
SCHEMBL16600792 0.79 L3MBTL1 (0.46) L3MBTL1ALDH1A1KDM4EMAPTHPGD

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
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