SCHEMBL5169697

SCHEMBL5169697

c1ccc(-n2cc(CN3CCCC3)c3ccccc32)cc1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 15/20 0.69
LMNA P02545 1/20 0.56
GLA P06280 1/20 0.56
TNFSF11 O14788 1/20 0.53
TNF P01375 1/20 0.53
ESRRA P11474 1/20 0.51

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
SCHEMBL5171820 0.84 HTR7 (0.55) HTR7LMNAGLATNFSF11TNF
SCHEMBL13335070 0.78 SCN9A (0.60) HTR7ESRRA
Hydrochloric Acid SCHEMBL15769689 0.77 TNF (0.76) HTR7TNFSF11TNF
SCHEMBL5961922 0.76 LMNA (0.69) LMNAGLA
SCHEMBL11893357 0.76 CACNB4 (0.72) LMNA
SCHEMBL5172146 0.76 RORC (0.58) HTR7TNFSF11TNF
Hydrochloric Acid SCHEMBL28233643 0.76 HTR7 (0.60) HTR7LMNAGLATNFESRRA
SCHEMBL31370506 0.75 HTR7 (0.50) HTR7ESRRA
SCHEMBL12260524 0.75 HTR7 (0.50) HTR7ESRRA
SCHEMBL1881313 0.75 HTR7 (0.56) HTR7ESRRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed