SCHEMBL2170535

SCHEMBL2170535

CS(=O)(=O)c1cc(CCCN)cc(Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 2/20 0.37
TLR8 Q9NR97 3/20 0.32
HTR6 P50406 1/20 0.31
DAGLA Q9Y4D2 1/20 0.30
CYP2A6 P11509 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
Hydrochloric Acid SCHEMBL2170231 0.78 LMNA (0.42) TLR8
SCHEMBL3245965 0.73 PIM1 (0.31) DAGLA
Hydrochloric Acid SCHEMBL2170595 0.72 HRH1 (0.39) TLR8HTR6CYP2A6
Hydrochloric Acid SCHEMBL1871819 0.67 CYP2A6 (0.41) CYP2A6
SCHEMBL17837530 0.66 GLP1R (0.39) GLP1R
SCHEMBL27845919 0.66 GLP1R (0.33) GLP1R
SCHEMBL27845932 0.66 GLP1R (0.34) GLP1R
SCHEMBL569089 0.66 GLP1R (0.34) GLP1R
SCHEMBL11585339 0.65 LMNA (0.44) GLP1RTLR8
SCHEMBL1348689 0.65 ALDH1A1 (0.38) GLP1R

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-2346868-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-27 EP disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed