SCHEMBL8269355

SCHEMBL8269355

CCOC(=O)Cn1c(=O)n(Cc2nc3ccccc3cc2N)c(=O)c2c1nc(N1CCCC(N)C1)n2CC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 19/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ CHRM1 P11229 4/20 0.48
▸ POU2F2 P09086 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ POU2F1 P14859 1/20 0.46
▸ CHRM3 P20309 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

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
SCHEMBL13945565 0.91 DPP4 (0.49) DPP4ALDH1A1LMNATSHRNPSR1
SCHEMBL8270404 0.86 DPP4 (0.49) DPP4ALDH1A1LMNATSHRNPSR1
SCHEMBL8270420 0.85 DPP4 (0.57) DPP4ALDH1A1LMNATSHRNPSR1
SCHEMBL13945308 0.85 DPP4 (0.64) DPP4ALDH1A1LMNATSHRNPSR1
SCHEMBL8269359 0.85 DPP4 (0.61) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL13944303 0.85 ALDH1A1 (0.49) DPP4ALDH1A1LMNATSHRNPSR1
SCHEMBL13945340 0.85 DPP4 (0.51) DPP4CHRM1
SCHEMBL13923891 0.84 DPP4 (0.59) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL13945566 0.84 DPP4 (0.49) DPP4ALDH1A1LMNATSHRNPSR1
SCHEMBL8270402 0.83 DPP4 (0.53) DPP4ALDH1A1LMNATSHRNPSR1

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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