SCHEMBL13192554

SCHEMBL13192554

CCNCCc1nccn1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
FDPS P14324 1/20 0.39
NAMPT P43490 1/20 0.37
LPO P22079 1/20 0.36
OPRK1 P41145 1/20 0.35
HTT P42858 1/20 0.34
TRPM5 Q9NZQ8 1/20 0.34
CNR2 P34972 1/20 0.33
SLC40A1 Q9NP59 1/20 0.32
TSHR P16473 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31

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
SCHEMBL28937540 0.89 KMT2A (0.38) MEN1KMT2AFDPSNAMPTLPO
SCHEMBL48932 0.82
SCHEMBL1833677 0.81 FDPS (0.41) MEN1KMT2AFDPSNAMPTLPO
SCHEMBL13661117 0.81 OPRK1 (0.42) MEN1KMT2AFDPSLPOOPRK1
Hydrochloric Acid SCHEMBL30754387 0.80 FDPS (0.43) MEN1KMT2AFDPSLPOOPRK1
SCHEMBL30101478 0.80 FDPS (0.43) MEN1KMT2AFDPSLPOOPRK1
Ammonia Solution, Strong SCHEMBL27683928 0.80 FDPS (0.43) MEN1KMT2AFDPSLPOOPRK1
Iodide SCHEMBL633577 0.80 FDPS (0.43) MEN1KMT2AFDPSLPOOPRK1
Bromide SCHEMBL27242084 0.80 FDPS (0.43) MEN1KMT2AFDPSLPOOPRK1
Hydrochloric Acid SCHEMBL26676426 0.80 FDPS (0.43) MEN1KMT2AFDPSLPOOPRK1

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-2010107605-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-09-23 WO disclosed