SCHEMBL11238412

SCHEMBL11238412

CC(C)CC(C#N)(CCN(C(C)C)C(C)C)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.51
SLC22A1 O15245 1/20 0.51
PGR P06401 1/20 0.51
THRB P10828 1/20 0.51
ADRB3 P13945 1/20 0.51
OPRK1 P41145 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
KCNH2 Q12809 1/20 0.51
PDE3A Q14432 1/20 0.51
SLC47A1 Q96FL8 1/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CHRM2 P08172 2/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 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
SCHEMBL11537649 0.92 KCNH2 (0.55) SLC22A2SLC22A1PGRTHRBADRB3
SCHEMBL11236930 0.84 SLC22A2 (0.51) SLC22A2SLC22A1PGRTHRBADRB3
SCHEMBL10638784 0.80 BLM (0.55) SLC22A2SLC22A1PGRTHRBADRB3
SCHEMBL11536797 0.79 KCNH2 (0.44) SLC22A2SLC22A1PGRTHRBADRB3
SCHEMBL10635538 0.79 BLM (0.52) SLC22A2SLC22A1PGRTHRBADRB3
SCHEMBL10956631 0.78 SLC22A2 (0.43) SLC22A2SLC22A1PGRTHRBADRB3
SCHEMBL9581143 0.77 CYP3A4 (0.60) SLC22A2SLC22A1PGRTHRBADRB3
SCHEMBL10633053 0.77 SLC22A2 (0.48) SLC22A2SLC22A1PGRTHRBADRB3
SCHEMBL10516737 0.76 CYP3A4 (0.50) SLC22A2SLC22A1PGRTHRBADRB3
SCHEMBL10952757 0.75 SLC22A2 (0.40) SLC22A2SLC22A1PGRTHRBADRB3

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
US-4356177-A Myocardium-protecting pyridine derivatives having an anti-arrhythmic activity and an activity as blood-platelets antiaggregants C.M. INDUSTRIES (FR) 1982-10-26 US disclosed