SCHEMBL5367303

SCHEMBL5367303

NCC1Nc2cccc(C(=CC(=O)O)C(=O)O)c2Cc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.36
HRH1 P35367 3/20 0.35
HTR2C P28335 2/20 0.35
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
HSD17B10 Q99714 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
RET P07949 1/20 0.30

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
SCHEMBL5367301 1.00 HTR2A (0.36) HTR2AHRH1HTR2CSLC6A2SLC6A4
Fumaric Acid SCHEMBL29945132 0.76 HTR2A (0.48) HTR2AHRH1HTR2CSLC6A2SLC6A4
Fumaric Acid SCHEMBL11256018 0.76 HTR2A (0.48) HTR2AHRH1HTR2CSLC6A2SLC6A4
Fumaric Acid SCHEMBL5367297 0.76 HTR2A (0.48) HTR2AHRH1HTR2CSLC6A2SLC6A4
SCHEMBL11102660 0.73 NPSR1 (0.33)
SCHEMBL5365272 0.70 HTR2A (0.59) HTR2AHRH1HTR2CSLC6A2SLC6A4
Fumaric Acid SCHEMBL11248605 0.67 HTR2A (0.45) HTR2AHRH1HTR2CSLC6A2SLC6A4
Fumaric Acid SCHEMBL11248576 0.67 HTR2A (0.45) HTR2AHRH1HTR2CSLC6A2SLC6A4
SCHEMBL8413244 0.66 HTR2B (0.56) HTR2AHTR2CHTR7HTR2B
SCHEMBL4667774 0.65 HSD17B10 (0.52) HTR2AHRH1HTR2CHSD17B10GAA

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
US-7196193-B2 Method for preparing 6-aminomethyl-6, 11-dihydro-5h-dibenz[b,e]azepine KONICA MINOLTA CHEMICAL CO., LTD. (JP) 2007-03-27 US disclosed
EP-1496051-B1 METHOD FOR PREPARING 6-AMINOMETHYL-6,11-DIHYDRO-5H-DIBENZ(B,E)AZEPINE KONICA MINOLTA CHEMICAL CO LTD (JP) 2006-11-29 EP disclosed
US-20050209215-A1 Method for preparing 6-aminomethyl-6,11-dihydro-5h-dibenz[b,e]azepine KONICA MINOLTA CHEMICAL CO., LTD. (JP) 2005-09-22 US disclosed
EP-1496051-A1 METHOD FOR PREPARING 6-AMINOMETHYL-6,11-DIHYDRO-5H-DIBENZ(B,E)AZEPINE Konica Minolta Chemical Co., Ltd. (JP) 2005-01-12 EP disclosed
EP-0035749-B1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM C.H. BOEHRINGER SOHN (DE) 1984-06-06 EP disclosed
EP-0035749-A1 Heterocyclic compounds, their preparation and pharmaceutical compositions containing them C.H. BOEHRINGER SOHN (DE) 1981-09-16 EP disclosed