SCHEMBL28898321

SCHEMBL28898321

Clc1ccc(N2C=CNC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 9/20 0.46
CHRNA3 P32297 9/20 0.46
POLB P06746 1/20 0.44
CHRNB2 P17787 11/20 0.44
CHRNA4 P43681 11/20 0.44

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
SCHEMBL29180308 0.80
SCHEMBL4538917 0.76 HTR3E (0.39) POLB
SCHEMBL30827713 0.68 POLB (0.43) CHRNB4CHRNA3POLBCHRNB2CHRNA4
SCHEMBL29998481 0.67 CHRNB4 (0.61) CHRNB4CHRNA3POLBCHRNB2CHRNA4
SCHEMBL27552787 0.65 POLB (0.40) CHRNB4CHRNA3POLBCHRNB2CHRNA4
SCHEMBL27594106 0.64 CHRNB4 (0.58) CHRNB4CHRNA3POLBCHRNB2CHRNA4
SCHEMBL27057850 0.64 CHRNB4 (0.58) CHRNB4CHRNA3POLBCHRNB2CHRNA4
SCHEMBL2923088 0.64 CHRNB2 (0.64) CHRNB4CHRNA3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL3069993 0.63 CHRNB2 (0.62) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL22199019 0.63 CYP2E1 (0.56) CHRNB4CHRNA3POLBCHRNB2CHRNA4

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
CN-115380032-A KV3 enhancers for the treatment of cognitive disorders 豪夫迈·罗氏有限公司 2022-11-22 CN disclosed