SCHEMBL2652236

SCHEMBL2652236

Clc1ccc([CH]CC2CCCC2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
DPEP1 P16444 1/20 0.40
MAPK1 P28482 1/20 0.38
CHAT P28329 1/20 0.38
SLC6A3 Q01959 9/20 0.37
SLC6A4 P31645 8/20 0.37
SLC6A2 P23975 3/20 0.36
KCNH2 Q12809 2/20 0.36
HPGD P15428 4/20 0.36
CYP2D6 P10635 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
PYGL P06737 1/20 0.35
IGF1R P08069 1/20 0.35

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
SCHEMBL8669221 0.74 RELA (0.43) ALDH1A1SLC6A3SLC6A4SLC6A2KCNH2
SCHEMBL6987167 0.72 ALDH1A1 (0.39) ALDH1A1DPEP1
SCHEMBL23093933 0.71 HSD17B10 (0.44)
SCHEMBL497968 0.71 KDM4E (0.42) ALDH1A1MAPK1HPGD
SCHEMBL8227101 0.70 ALDH1A1 (0.45) ALDH1A1DPEP1MAPK1CHATSLC6A3
SCHEMBL10985072 0.70 RAB9A (0.41) ALDH1A1DPEP1SLC6A3
SCHEMBL27851021 0.70 RAB9A (0.41) ALDH1A1HPGD
SCHEMBL4420128 0.70 ALDH1A1 (0.60) ALDH1A1CHATPYGL
SCHEMBL28208720 0.69 KDM4E (0.45) ALDH1A1MAPK1SIGMAR1
SCHEMBL28208059 0.69 KDM4E (0.45) ALDH1A1MAPK1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458382-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2004-09-22 EP claimed
WO-2003055482-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2003-07-10 WO claimed
EP-1458382-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
WO-2003055482-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2003-07-10 WO disclosed