SCHEMBL7490482

SCHEMBL7490482

O=C1CCN(c2cnccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
SORD Q00796 1/20 0.46
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SLC6A7 Q99884 1/20 0.44
GPR119 Q8TDV5 2/20 0.43
HTR1A P08908 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL28282298 0.89 KDM4E (0.43) KDM4ESORDLMNAL3MBTL1ALDH1A1
SCHEMBL1713664 0.81 KDM4E (0.49) KDM4ESORDLMNAL3MBTL1SLC6A7
SCHEMBL2320496 0.79 SORD (0.51) KDM4ESORDLMNAL3MBTL1ALDH1A1
SCHEMBL18228513 0.79 SORD (0.51) KDM4ESORDLMNAL3MBTL1ALDH1A1
SCHEMBL31014265 0.79 SORD (0.51) KDM4ESORDLMNAL3MBTL1ALDH1A1
SCHEMBL28282315 0.79 KDM4E (0.41) KDM4ESORDLMNAL3MBTL1ALDH1A1
SCHEMBL468382 0.78 SORD (0.50) KDM4ESORDLMNAL3MBTL1ALDH1A1
SCHEMBL30785422 0.78 SORD (0.50) KDM4ESORDLMNAL3MBTL1ALDH1A1
SCHEMBL2320514 0.78 SORD (0.50) KDM4ESORDLMNAL3MBTL1ALDH1A1
SCHEMBL1266496 0.76 SORD (0.49) KDM4ESORDLMNAL3MBTL1ALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563016-A Using single hydrogen perfluoro alkane as the manufacturing method of the all-fluoroalkyl compound of starting material 关东电化工业株式会社 2019-04-02 CN disclosed
EP-1146871-A4 ANTIDEPRESSANT HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2002-04-17 EP disclosed
CN-1342074-A Antidepressant heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2002-03-27 CN disclosed
EP-1146871-A1 ANTIDEPRESSANT HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2001-10-24 EP disclosed
US-6225324-B1 POTENT INHIBITION OF 5-HT REUPTAKE; 1,3-DISUBSTITUTED PYRROLIDINE, 1,4-DISUBSTITUTED PIPERIDINE, OR 1,4-DISUBSTITUTED HEXAHYDROAZEPINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2001-05-01 US disclosed
WO-2000044376-A1 ANTIDEPRESSANT HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-08-03 WO disclosed
US-4751305-A ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-06-14 US disclosed
US-4748246-A INTERLEUKIN ANTAGONISTS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-05-31 US disclosed
US-4302455-A ANALGESICS, ANTIDEPRESSANTS MERCK & CO., INC. (US) 1981-11-24 US disclosed