SCHEMBL16600850

SCHEMBL16600850

O=C1CCCN1Cc1cc(C(=O)N2CC3CC(CN(Cc4ccccc4)C3)C2)ccc1Br

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.41
HSD11B1 P28845 1/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FAAH O00519 1/20 0.38
PKM P14618 1/20 0.38
MAPK14 Q16539 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
SCHEMBL16600870 0.91 CHRNB2 (0.44) L3MBTL1KMT2ALMNAMEN1ALDH1A1
SCHEMBL16600792 0.85 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2HSD11B1ACHEALDH1A1
SCHEMBL16601126 0.79 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2NPC1HSD11B1ACHE
SCHEMBL16601135 0.78 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2KMT2ALMNAMAPK1
SCHEMBL9521359 0.76 KMT2A (0.58) L3MBTL1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL16601212 0.76 FAAH (0.37) L3MBTL1KMT2ALMNAMEN1TSHR
SCHEMBL16601210 0.76 FAAH (0.37) L3MBTL1KMT2ALMNAMEN1TSHR
SCHEMBL16601522 0.76 L3MBTL1 (0.41) L3MBTL1SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL16601523 0.76 L3MBTL1 (0.41) L3MBTL1SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL16600776 0.76 L3MBTL1 (0.44) L3MBTL1KMT2AMEN1ALDH1A1KDM4E

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