SCHEMBL4570090

SCHEMBL4570090

CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2C=CN2CCCC2)CC1.CN1CCN(C(=O)c2cccc3[nH]ccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.51
MAPK14 Q16539 2/20 0.47
GAA P10253 1/20 0.42
MGLL Q99685 1/20 0.40
CCR5 P51681 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ERN1 O75460 1/20 0.38
TNFSF11 O14788 1/20 0.38
TNF P01375 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
SCHEMBL3202804 0.89 HRH4 (0.48) HRH4CA12CA1CA2CA7
SCHEMBL3202812 0.89 HRH4 (0.48) HRH4CA12CA1CA2CA7
SCHEMBL3210544 0.79 MAPK14 (0.65) HRH4MAPK14GAAMGLLCCR5
Hydrochloric Acid SCHEMBL28743203 0.73 MAPK14 (0.61) MAPK14GAAMGLLCCR5
SCHEMBL2216397 0.72 MAPK14 (0.64) MAPK14GAAMGLLCCR5
SCHEMBL14185148 0.69 ALDH1A1 (0.50) GAASMN1; SMN2
SCHEMBL3882151 0.69 HRH4 (0.56) HRH4CA12CA1CA2CA7
SCHEMBL3193640 0.69 ALDH1A1 (0.67) HRH4CA12CA1CA2CA7
SCHEMBL3209676 0.67 L3MBTL1 (0.50) HRH4GAASMN1; SMN2ERN1
SCHEMBL3209679 0.67 L3MBTL1 (0.50) HRH4GAASMN1; SMN2ERN1

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-2121602-A1 4-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL) INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS Suven Life Sciences Limited (IN) 2009-11-25 EP disclosed
WO-2008084491-A1 4-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL) INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2008-07-17 WO disclosed