SCHEMBL4364342

SCHEMBL4364342

CCCCNCC(C)(N)c1cc(F)cc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MPO P05164 2/20 0.33
TSHR P16473 2/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL8403513 0.68 TSHR (0.48) L3MBTL1POLBSMN1; SMN2TSHR
SCHEMBL10193164 0.67 SIGMAR1 (0.50) L3MBTL1MPOTSHR
SCHEMBL3706008 0.67 SLC6A3 (0.33)
SCHEMBL9200075 0.65 TSHR (0.46) L3MBTL1POLBSMN1; SMN2TSHR
SCHEMBL28865925 0.65 POLB (0.44) L3MBTL1POLBSMN1; SMN2TSHR
SCHEMBL20288417 0.65 CNR2 (0.33)
SCHEMBL4371812 0.65
SCHEMBL15114076 0.64 TSHR (0.48) L3MBTL1POLBSMN1; SMN2TSHR
SCHEMBL1237730 0.64 PDE2A (0.39)
SCHEMBL10198685 0.64 TSHR (0.52) L3MBTL1POLBSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2458991-A1 RADIOLABELED CGRP ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2012-06-06 EP disclosed
WO-2009120652-A2 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-10-01 WO disclosed