SCHEMBL22240245

SCHEMBL22240245

C=C(C)Nc1cc(CC)ncn1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
LCK P06239 2/20 0.34
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL22592374 0.76 ITGB1 (0.37) L3MBTL1
SCHEMBL5239757 0.75 CYP1A2 (0.41) L3MBTL1LCKHRH4
SCHEMBL25692333 0.75 L3MBTL1 (0.44) L3MBTL1LCK
SCHEMBL4751914 0.73 HRH4 (0.36) L3MBTL1LCKHRH4
SCHEMBL20198467 0.72 CYP1A2 (0.33) HRH4
SCHEMBL26199633 0.71 ITGB1 (0.39)
SCHEMBL1767952 0.71 HRH4 (0.41) HRH4
Dimethylamine SCHEMBL9053689 0.69 HRH4 (0.45) HRH4
SCHEMBL25986319 0.69 ABL1 (0.39) L3MBTL1
SCHEMBL23175884 0.69 L3MBTL1 (0.32) L3MBTL1HRH4

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
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 EP disclosed