SCHEMBL27628880

SCHEMBL27628880

CC(=O)c1cccc2c1N(C)C(C=O)O2

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL27609897 0.83 PTPN1 (0.37) —
SCHEMBL27790260 0.80 CHRNB4 (0.33) —
SCHEMBL27628921 0.77 MEN1 (0.33) DRD2MEN1KMT2ANPSR1
SCHEMBL27606465 0.71 P2RX4 (0.35) —
SCHEMBL28031070 0.70 MEN1 (0.34) DRD2MEN1KMT2ANPSR1
SCHEMBL27841613 0.65 ESR1 (0.36) DRD2NPSR1
SCHEMBL27859215 0.62 MEN1 (0.34) MEN1KMT2ANPSR1
SCHEMBL14406020 0.61 ALDH1A1 (0.39) MEN1KMT2ANPSR1
SCHEMBL20483902 0.59 DRD2 (0.48) DRD2
SCHEMBL637323 0.59 CTNNB1 (0.55) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101503409-B 8-(3-amino-piperidin-1-yl)-xanthines, the production thereof and the use of the same as medicaments BOEHRINGER INGELHEIM PHARMA 2014-01-22 — — CN disclosed
CN-101503408-B 8-(3-amino-piperidin-1-yl)-xanthines BEOEHRINGER INGELHEIM PHARMA GMBH & CO KG 2013-04-24 — — CN disclosed
CN-101503408-A 8-(3-amino-piperidin-1-yl)-xanthines BOEHRINGER INGELHEIM PHARMA (DE) 2009-08-12 — — CN disclosed
CN-101503409-A 8-(3-amino-piperidin-1-yl)-xanthines, the production thereof and the use of the same as medicaments BOEHRINGER INGELHEIM PHARMA (DE) 2009-08-12 — — CN disclosed
CN-100522962-C 8- [ 3-amino-piperidin-1-yl ] -xanthines, process for their preparation and their use as pharmaceutical preparations BOEHRINGER INGELHEIM PHARMA (DE) 2009-08-05 — — CN disclosed
CN-1675212-A 8- [ 3-amino-piperidin-1-yl ] -xanthines, process for their preparation and their use as pharmaceutical preparations BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-28 — — CN disclosed
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