SCHEMBL13827331

SCHEMBL13827331

CCS(=O)(=O)NCc1ccc2c(c1)C(Cc1ccccc1)NCCC2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.52
SLC22A1 O15245 1/20 0.46
PRCP P42785 1/20 0.46
ADRB2 P07550 1/20 0.45
KDM1A O60341 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL13827328 0.93 SLC6A9 (0.61) SLC6A9SLC22A1PRCPADRB2KDM1A
SCHEMBL13827790 0.91 SLC6A9 (0.42) SLC6A9SLC22A1PRCPKDM1AMAPT
SCHEMBL13827336 0.91 SLC6A9 (0.42) SLC6A9SLC22A1PRCPKDM1AMAPT
SCHEMBL13738182 0.91 SLC6A9 (0.48) SLC6A9SLC22A1PRCPADRB2KDM1A
SCHEMBL17675764 0.89 SLC6A9 (0.42) SLC6A9SLC22A1PRCPADRB2KDM1A
SCHEMBL15187757 0.87 SLC6A9 (0.50) SLC6A9SLC22A1PRCPADRB2KDM1A
SCHEMBL13827504 0.86 SLC6A9 (0.41) SLC6A9MAPTKDM4EMEN1USP2
SCHEMBL17675750 0.85 SLC22A1 (0.44) SLC6A9SLC22A1PRCPADRB2KDM1A
SCHEMBL13736420 0.84 SLC22A1 (0.50) SLC22A1PRCPADRB2KDM1AMAPT
SCHEMBL14152143 0.84 SLC22A1 (0.52) SLC22A1PRCPADRB2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309200-B2 Benzazepine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-04-12 US disclosed
US-9309200-B2 Benzazepine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-04-12 US disclosed
WO-2012152915-A1 BENZAZEPINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-11-15 WO disclosed