SCHEMBL15957201

SCHEMBL15957201

CN1CC(N)COc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL28410901 1.00 NISCH (0.42) NISCHSMN1; SMN2CHRNB4CHRNA3CHRNB2
SCHEMBL30728630 0.79 BLM (0.37)
SCHEMBL30728617 0.79 BLM (0.37)
SCHEMBL4700749 0.77 NISCH (0.37) NISCHMEN1KMT2AALDH1A1HPGD
SCHEMBL22482352 0.77 KDM1A (0.32) NISCHCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL18365855 0.77 ABCG2 (0.50) NISCHSMN1; SMN2
SCHEMBL30076378 0.74 ADRA1A (0.35) NISCHSMN1; SMN2MEN1KMT2A
SCHEMBL30250644 0.74 CHRNB4 (0.36) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL31025716 0.74 CHRNB4 (0.36) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL30250553 0.74 NISCH (0.44) NISCH

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-2956452-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2015-12-23 EP disclosed
WO-2014125444-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-08-21 WO disclosed