SCHEMBL16601522

SCHEMBL16601522

O=C1CCCN1Cc1c(Cl)ccc(C(=O)N2CC3C[C@@H](CN(Cc4ccccc4)C3)C2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
HSD11B1 P28845 2/20 0.39
ACHE P22303 1/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
HTT P42858 2/20 0.36
TSHR P16473 4/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
HPGD P15428 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL16601523 1.00 L3MBTL1 (0.41) L3MBTL1HSD11B1ACHEKMT2AMEN1
SCHEMBL16601126 0.86 L3MBTL1 (0.47) L3MBTL1HSD11B1ACHEHTTALDH1A1
SCHEMBL16601135 0.80 L3MBTL1 (0.46) L3MBTL1HSD11B1ACHEKMT2AHTT
SCHEMBL16600792 0.80 L3MBTL1 (0.46) L3MBTL1HSD11B1ACHEHTTALDH1A1
SCHEMBL16600776 0.78 L3MBTL1 (0.44) L3MBTL1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL16600850 0.76 L3MBTL1 (0.41) L3MBTL1HSD11B1ACHEKMT2AMEN1
SCHEMBL9521625 0.75 CYP2C9 (0.54) L3MBTL1HSD11B1KMT2AMEN1HTT
SCHEMBL16600970 0.74 RAB9A (0.45) KMT2AHRH3
SCHEMBL16600968 0.74 RAB9A (0.45) KMT2AHRH3
SCHEMBL16600857 0.72 HRH3 (0.39) L3MBTL1KMT2AMEN1GAAS1PR1

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