SCHEMBL6205340

SCHEMBL6205340

CCOC(OCC)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
CFTR P13569 1/20 0.47
SLC6A3 Q01959 1/20 0.47
GOPC Q9HD26 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.42
CYP19A1 P11511 1/20 0.42
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.40
KCNN4 O15554 1/20 0.39
KCNA5 P22460 1/20 0.39

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
SCHEMBL11068720 0.85 SMN1; SMN2 (0.60) SLC6A2SLC6A4CFTRSLC6A3GOPC
SCHEMBL22824153 0.83 CFTR (0.46) SLC6A2SLC6A4CFTRSLC6A3GOPC
SCHEMBL21064696 0.83 CFTR (0.46) SLC6A2SLC6A4CFTRSLC6A3GOPC
SCHEMBL20012923 0.83 CFTR (0.46) SLC6A2SLC6A4CFTRSLC6A3GOPC
SCHEMBL2608570 0.81 SMN1; SMN2 (0.51) SLC6A2SLC6A4CFTRSLC6A3GOPC
SCHEMBL7707812 0.79 SMN1; SMN2 (0.42) SLC6A2SLC6A4CFTRSLC6A3GOPC
SCHEMBL11066568 0.79 TBXAS1 (0.49)
SCHEMBL6631615 0.78 CFTR (0.52) SLC6A2SLC6A4CFTRSLC6A3GOPC
SCHEMBL29852317 0.76 SMN1; SMN2 (0.50) SLC6A2SLC6A4CFTRSLC6A3GOPC
SCHEMBL28134029 0.76 SMN1; SMN2 (0.50) SLC6A2SLC6A4CFTRSLC6A3GOPC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102892759-B Nitrogen-containing heterocyclic compound having kynurenine production inhibitory action KYOWA HAKKO KIRIN CO LTD 2015-06-24 CN disclosed
CN-102892759-A Nitrogen-containing heterocyclic compound having kynurenine production inhibitory action KYOWA HAKKO KIRIN CO LTD 2013-01-23 CN disclosed
CN-1668601-A N-substituted tricyclic 3-aminopyrazoles as PDFG receptor inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-09-14 CN disclosed
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed
US-4971984-A Cardiovascular disorders, hypotensive agints BEEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1990-11-20 US disclosed