SCHEMBL8270404

SCHEMBL8270404

CCOC(=O)Cn1c(=O)n(Cc2nc3ccccc3c3ncccc23)c(=O)c2c1nc(N1CCCC(N)C1)n2CC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 18/20 0.49
▸ CHRM1 P11229 4/20 0.48
▸ POU2F2 P09086 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ POU2F1 P14859 1/20 0.48
▸ CHRM3 P20309 1/20 0.48
▸ HRH2 P25021 1/20 0.48
▸ MC4R P32245 1/20 0.48
▸ FAP Q12884 1/20 0.48
▸ DPP8 Q6V1X1 1/20 0.48
▸ DPP9 Q86TI2 1/20 0.48
▸ GHSR Q92847 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL8270398 0.94 DPP4 (0.52) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL13923875 0.93 DPP4 (0.59) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL8270402 0.89 DPP4 (0.53) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL13324359 0.87 DPP4 (0.62) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL13945308 0.86 DPP4 (0.64) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL13923874 0.86 DPP4 (0.64) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL8269355 0.86 DPP4 (0.49) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL13945311 0.85 DPP4 (0.54) DPP4CHRM1ALDH1A1LMNATSHR
SCHEMBL8270420 0.85 DPP4 (0.57) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL13944303 0.85 ALDH1A1 (0.49) DPP4CHRM1ALDH1A1LMNATSHR

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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