SCHEMBL8271359

SCHEMBL8271359

CC#CCn1c(N2CCCC(N)C2)nc2c1c(=O)n(Cc1ccc3ccccc3n1)c(=O)n2CC(=O)OCC

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.62
▸ CYP3A4 P08684 1/20 0.60
▸ CHRM1 P11229 4/20 0.58
▸ FAP Q12884 2/20 0.58
▸ POU2F2 P09086 1/20 0.58
▸ ADORA3 P0DMS8 1/20 0.58
▸ POU2F1 P14859 1/20 0.58
▸ CHRM3 P20309 1/20 0.58
▸ HRH2 P25021 1/20 0.58
▸ MC4R P32245 1/20 0.58
▸ DPP8 Q6V1X1 1/20 0.58
▸ DPP9 Q86TI2 1/20 0.58
▸ GHSR Q92847 1/20 0.58

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
SCHEMBL8269353 0.92 DPP4 (0.58) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL8271389 0.92 DPP4 (0.58) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL8270399 0.91 DPP4 (0.63) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL13923864 0.91 DPP4 (0.59) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL8271369 0.90 DPP4 (0.55) DPP4CHRM1
SCHEMBL13923895 0.90 DPP4 (0.57) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL8269956 0.90 DPP4 (0.77) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL13923856 0.89 DPP4 (0.55) DPP4CHRM1
SCHEMBL8270387 0.89 DPP4 (0.60) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL13923891 0.88 DPP4 (0.59) DPP4CHRM1FAPPOU2F2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495003-B2 8-(3-amino-piperidin-1-yl)-7-(but-2-ynyl)-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-24 — — US disclosed
US-7495003-B2 8-(3-amino-piperidin-1-yl)-7-(but-2-ynyl)-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-24 — — US disclosed
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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