SCHEMBL8269360

SCHEMBL8269360

CCn1c(N2CCCC(N)C2)nc2c1c(=O)n(Cc1ccc3c(N)cccc3n1)c(=O)n2CC(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.52
▸ CHRM1 P11229 5/20 0.46
▸ CHRM3 P20309 2/20 0.46
▸ POU2F2 P09086 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ POU2F1 P14859 1/20 0.46
▸ HRH2 P25021 1/20 0.46
▸ MC4R P32245 1/20 0.46
▸ FAP Q12884 1/20 0.46
▸ DPP8 Q6V1X1 1/20 0.46
▸ DPP9 Q86TI2 1/20 0.46
▸ GHSR Q92847 1/20 0.46
▸ CHRM2 P08172 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45

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
SCHEMBL13944305 0.88 DPP4 (0.50) DPP4CHRM1CHRM3POU2F2ADORA3
SCHEMBL8269353 0.86 DPP4 (0.58) DPP4CHRM1CHRM3POU2F2ADORA3
SCHEMBL8271383 0.85 DPP4 (0.64) DPP4CHRM1CHRM3POU2F2ADORA3
SCHEMBL8268761 0.84 DPP4 (0.52) DPP4CHRM1CHRM3POU2F2ADORA3
SCHEMBL13923894 0.84 DPP4 (0.59) DPP4CHRM1CHRM3POU2F2ADORA3
SCHEMBL13945305 0.84 DPP4 (0.62) DPP4CHRM1
SCHEMBL8271361 0.82 DPP4 (0.46) DPP4CHRM1
SCHEMBL8270398 0.82 DPP4 (0.52) DPP4CHRM1CHRM3POU2F2ADORA3
SCHEMBL13945566 0.82 DPP4 (0.49) DPP4CHRM1CHRM3POU2F2ADORA3
SCHEMBL13944296 0.82 DPP4 (0.49) DPP4CHRM1

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
WO-2006027204-A1 8-(3-AMINO-PIPERIDIN-1-YL)-7-(BUT-2-INYL)-XANTHINES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-16 — — WO disclosed
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