SCHEMBL14433009

SCHEMBL14433009

ClN1CCNc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
AHR P35869 1/20 0.38
DPP4 P27487 1/20 0.34
HTR5A P47898 2/20 0.33
ACHE P22303 1/20 0.33
PIM1 P11309 1/20 0.33
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B3 P37058 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL2849413 0.77 MAOA (0.53) MAPK1HPGDALOX15HSD17B10BRD4
SCHEMBL31332341 0.74 SIGMAR1 (0.54) ACHEMEN1ALDH1A1KMT2A
SCHEMBL11882123 0.74 TMPRSS2 (0.58) MAPK1HPGDHSD17B10BRD4CREBBP
SCHEMBL30252940 0.74 MAPK1 (0.62) MAPK1HPGDHSD17B10BRD4CREBBP
SCHEMBL12533132 0.73 MAPK1 (0.47) MAPK1HPGDALOX15HSD17B10BRD4
SCHEMBL10280392 0.73 MAPK1 (0.47) MAPK1HPGDALOX15HSD17B10BRD4
SCHEMBL10241074 0.73 MAPK1 (0.54) MAPK1HPGDALOX15HSD17B10BRD4
SCHEMBL2818152 0.72 MAPK1 (0.63) MAPK1HPGDBRD4CREBBPAHR
SCHEMBL379244 0.70 MAPK1 (0.66) MAPK1HPGDBRD4CREBBPAHR
SCHEMBL11966963 0.70 MAPK1 (0.58) MAPK1HPGDALOX15HSD17B10BRD4

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-1294698-B1 FUSED AZEPINE DERIVATIVES AND THEIR USE AS ANTIDIURETIC AGENTS FERRING BV (NL) 2007-08-01 EP disclosed
US-7176195-B2 Fused azepine derivatives and their use as antidiuretic agents FERRING BV (NL) 2007-02-13 US disclosed