SCHEMBL16600968

SCHEMBL16600968

Cc1ccc(CN2CCCC2=O)cc1C(=O)N1CC2C[C@@H](CN(Cc3ccc(Cl)cc3)C2)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.45
WDR91 A4D1P6 2/20 0.42
KMT2A Q03164 4/20 0.41
F10 P00742 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
KCNH2 Q12809 1/20 0.39
EPHX2 P34913 1/20 0.39
MAPK1 P28482 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
FAAH O00519 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
SCHEMBL16600970 1.00 RAB9A (0.45) RAB9AWDR91KMT2AF10HRH3
SCHEMBL16601135 0.93 L3MBTL1 (0.46) RAB9AKMT2AHRH3MAPK1FAAH
SCHEMBL16600857 0.92 HRH3 (0.39) RAB9AKMT2AHRH3MAPK1FAAH
SCHEMBL16600858 0.92 HRH3 (0.39) RAB9AKMT2AHRH3MAPK1FAAH
SCHEMBL16601212 0.85 FAAH (0.37) RAB9AKMT2AMAPK1FAAH
SCHEMBL16601210 0.85 FAAH (0.37) RAB9AKMT2AMAPK1FAAH
SCHEMBL16601295 0.85 L3MBTL1 (0.43) RAB9AKMT2AMAPK1
SCHEMBL16601074 0.85 CHRNA4 (0.47) KMT2AMAPK1
SCHEMBL16601126 0.84 L3MBTL1 (0.47) RAB9AHRH3FAAH
SCHEMBL16600792 0.81 L3MBTL1 (0.46) HRH3FAAH

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 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