SCHEMBL16601126

SCHEMBL16601126

O=C1CCCN1Cc1ccc(Cl)c(C(=O)N2CC3CC(CN(Cc4ccccc4)C3)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
ACHE P22303 1/20 0.42
HSD11B1 P28845 1/20 0.42
FAAH O00519 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
P2RX7 Q99572 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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 0.90 L3MBTL1 (0.46) L3MBTL1ACHEHSD11B1FAAHHRH3
SCHEMBL16600792 0.90 L3MBTL1 (0.46) L3MBTL1ACHEHSD11B1FAAHHRH3
SCHEMBL16600776 0.87 L3MBTL1 (0.44) L3MBTL1FAAHKDM4EMAPTS1PR1
SCHEMBL16601523 0.86 L3MBTL1 (0.41) L3MBTL1ACHEHSD11B1HRH3KDM4E
SCHEMBL16601522 0.86 L3MBTL1 (0.41) L3MBTL1ACHEHSD11B1HRH3KDM4E
SCHEMBL16600968 0.84 RAB9A (0.45) FAAHHRH3RAB9A
SCHEMBL16600970 0.84 RAB9A (0.45) FAAHHRH3RAB9A
SCHEMBL16600857 0.81 HRH3 (0.39) L3MBTL1FAAHHRH3PARP1RAB9A
SCHEMBL16600858 0.81 HRH3 (0.39) L3MBTL1FAAHHRH3PARP1RAB9A
SCHEMBL16601295 0.80 L3MBTL1 (0.43) L3MBTL1PARP1KDM4EMAPTRAB9A

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