SCHEMBL2762291

SCHEMBL2762291

CCCC(=O)CN1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.50
CHRM5 P08912 2/20 0.49
CHRM3 P20309 2/20 0.49
GNAI3 P08754 4/20 0.40
GNAO1 P09471 4/20 0.40
GNAI1 P63096 4/20 0.40
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FAAH O00519 1/20 0.34
NAAA Q02083 1/20 0.34

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
SCHEMBL26833107 0.87 SIGMAR1 (0.54) SIGMAR1CHRM5CHRM3GNAI3GNAO1
SCHEMBL7983147 0.85 GNAI3 (0.54) SIGMAR1CHRM5CHRM3GNAI3GNAO1
SCHEMBL18197679 0.83 CHRM5 (0.52) SIGMAR1CHRM5CHRM3GNAI3GNAO1
SCHEMBL30733932 0.83 CHRM5 (0.53) SIGMAR1CHRM5CHRM3POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL4961046 0.82 CHRM5 (0.50) SIGMAR1CHRM5CHRM3GNAI3GNAO1
Hydrochloric Acid SCHEMBL15169051 0.79 ALDH1A1 (0.44) POLBSMN1; SMN2MEN1KMT2A
SCHEMBL27804851 0.78 SIGMAR1 (0.45) SIGMAR1CHRM5CHRM3GNAI3GNAO1
SCHEMBL29299788 0.78 HSD17B10 (0.45) MEN1KMT2A
SCHEMBL14195858 0.78 PAOX (0.44) SIGMAR1POLBKMT2A
Hydrochloric Acid SCHEMBL27749822 0.77 SIGMAR1 (0.44) SIGMAR1CHRM5CHRM3GNAI3GNAO1

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
CN-104046246-A Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PROD & CHEM 2014-09-17 CN claimed
CN-104046246-A Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PROD & CHEM 2014-09-17 CN disclosed
EP-2391601-A1 SULFAMOYL- PHENYL-UREIDO BENZAMIDINE-DERIVATIVES AS ANTIMALARIAL AGENTS 4SC AG (DE) 2011-12-07 EP disclosed
WO-2010086177-A1 SULFAMOYL- PHENYL-UREIDO BENZAMIDINE-DERIVATIVES AS ANTIMALARIAL AGENTS 4SC AG (DE) 2010-08-05 WO disclosed