SCHEMBL3239132

SCHEMBL3239132

O=C(c1cccc(Cl)n1)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.54
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
PHGDH O43175 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
TP53 P04637 3/20 0.50
MAPK1 P28482 2/20 0.50
GNE Q9Y223 1/20 0.50
GRM5 P41594 1/20 0.49
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
KDM4A O75164 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL3249427 0.85 GNE (0.68) HTR2CNPC1RAB9ASMN1; SMN2TP53
SCHEMBL3244751 0.84 GNE (0.66) HTR2CNPC1RAB9ASMN1; SMN2TP53
SCHEMBL28467301 0.83 GNE (0.51) HTR2CNPC1RAB9ASMN1; SMN2TP53
SCHEMBL30911660 0.81 RAB9A (0.50) HTR2CNPC1RAB9ASMN1; SMN2TP53
SCHEMBL1554586 0.81 RAB9A (0.50) HTR2CNPC1RAB9ASMN1; SMN2TP53
SCHEMBL30911663 0.81 RAB9A (0.50) HTR2CNPC1RAB9ASMN1; SMN2TP53
SCHEMBL947448 0.81 HTR2C (0.54) HTR2CNPC1RAB9ASMN1; SMN2TP53
SCHEMBL31395167 0.81 HRH4 (0.53) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL30149935 0.81 RAB9A (0.52) HTR2CNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4122541 0.81 RAB9A (0.52) HTR2CNPC1RAB9ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2186516-B1 Novel benzazepine derivative GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
EP-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
EP-2186516-A1 Novel benzazepine derivative Glaxo Group Limited (GB) 2010-05-19 EP disclosed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 EP disclosed
EP-1572215-B1 BENZO[D]AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LTD (GB) 2009-09-02 EP disclosed