SCHEMBL9220071

SCHEMBL9220071

COc1ccc(CN2CCCC2)cc1C(N)c1occ2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HTR7 P34969 2/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL9061947 0.91 S1PR1 (0.42) MEN1KMT2AHTR7
SCHEMBL9030860 0.83 KDM4E (0.39)
SCHEMBL9025565 0.82 MAPK14 (0.39) HTR7ACHE
SCHEMBL9025516 0.81 PDE7A (0.37)
SCHEMBL9026132 0.81 HRH3 (0.49) KMT2APOLB
SCHEMBL9026859 0.78 ADRA2A (0.45) MEN1KMT2AACHEPOLBNPC1
SCHEMBL9025520 0.78 METAP2 (0.38) MEN1KMT2AACHEPOLB
SCHEMBL9025089 0.78 KDM4E (0.41) MEN1KMT2ATP53NPC1RAB9A
SCHEMBL9026950 0.78 HTR1A (0.51)
SCHEMBL9026008 0.77 PKM (0.38) ACHE

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-1995004052-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1995-02-09 WO disclosed