SCHEMBL28049595

SCHEMBL28049595

c1cncc(OCC2CCCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.60
CHRNA4 P43681 8/20 0.60
CHRNA3 P32297 6/20 0.60
CHRNB4 P30926 5/20 0.60
CHRNA7 P36544 3/20 0.60
CHRNA1 P02708 2/20 0.60
CHRNB1 P11230 2/20 0.60
CHRNG P07510 1/20 0.60
CHRND Q07001 1/20 0.60
CHRNB3 Q05901 1/20 0.58
CYP2D6 P10635 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP11B2 P19099 1/20 0.50

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
SCHEMBL31680951 0.91 CHRNB2 (0.66) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL10280025 0.91 CHRNB2 (0.66) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL2240323 0.84 CHRNB2 (0.66) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Dimethylamine SCHEMBL27735845 0.84 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL586350 0.82 CHRNB2 (0.60) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL20038029 0.80 CHRNB2 (0.60) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL8356592 0.78 PARP15 (0.57)
SCHEMBL10559372 0.78 PARP15 (0.45) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL24183611 0.78 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL24154367 0.77 CHRNA3 (0.78) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104781258-B Hydroxy-substituted imidazo [1,2-a ] pyridinecarboxamides and their use as soluble guanylate cyclase stimulators 拜耳制药股份公司 2017-09-22 CN disclosed
CN-105339368-B Imidazo [1,2 a] pyridine of 3 aryl substitution and application thereof 拜耳制药股份公司 2017-08-15 CN disclosed
CN-107001361-A Heteroaryl substituted imidazo [1, 2-a ] pyridines and their use 拜耳医药股份有限公司 2017-08-01 CN disclosed
CN-106715426-A Cyano-substituted imidazo[1,2-a]pyridinecarboxamides and their use 拜耳医药股份有限公司 2017-05-24 CN disclosed
CN-104981470-B Amino-substituted imidazo[1,2-a]pyridinecarboxamides and their use 拜耳制药股份公司 2017-04-19 CN disclosed
CN-104955823-B Carboxy-substituted imidazo [1,2-a ] pyridinecarboxamides and their use as stimulators of soluble guanylate cyclase 拜耳制药股份公司 2017-04-19 CN disclosed
CN-106414440-A Aryl and heteroaryl substituted imidazo [1,2-a ] pyridine-3-carboxamides and their use 拜耳制药股份公司 2017-02-15 CN disclosed
CN-105263490-A Substituted triazolopyridines and methods of use GENENTECH INC 2016-01-20 CN disclosed