SCHEMBL1031212

SCHEMBL1031212

C1=CCN(C2=NCCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
INMT O95050 4/20 0.50
USP2 O75604 1/20 0.50
SIGMAR1 Q99720 2/20 0.35
NOS3 P29474 5/20 0.34
NOS1 P29475 5/20 0.34
NOS2 P35228 5/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
ACHE P22303 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
SCHEMBL10058697 0.73 INMT (0.86) INMTUSP2SIGMAR1NOS3NOS1
SCHEMBL6038391 0.71 INMT (0.91) INMTUSP2SIGMAR1NOS3NOS1
SCHEMBL2742282 0.71 INMT (0.91) INMTUSP2SIGMAR1NOS3NOS1
SCHEMBL496207 0.71 INMT (0.91) INMTUSP2SIGMAR1NOS3NOS1
SCHEMBL2956216 0.71 INMT (0.91) INMTUSP2SIGMAR1NOS3NOS1
SCHEMBL5475300 0.71 INMT (0.91) INMTUSP2SIGMAR1NOS3NOS1
SCHEMBL3270217 0.71 INMT (0.91) INMTUSP2SIGMAR1NOS3NOS1
SCHEMBL219036 0.71 INMT (0.91) INMTUSP2SIGMAR1NOS3NOS1
SCHEMBL20718625 0.71 INMT (0.91) INMTUSP2SIGMAR1NOS3NOS1
SCHEMBL6859113 0.71 INMT (0.91) INMTUSP2SIGMAR1NOS3NOS1

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-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP disclosed