SCHEMBL7212847

SCHEMBL7212847

CCOc1ccc([C@H]2CN(C)CC[C@H]2N)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.50
KDM1A O60341 3/20 0.46
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
GAA P10253 2/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
QDPR P09417 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL7212851 1.00 DPP4 (0.50) DPP4KDM1AALDH1A1KDM4EMAPT
SCHEMBL7212853 1.00 DPP4 (0.50) DPP4KDM1AALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL7205700 0.99 DPP4 (0.49) DPP4KDM1AALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL7205705 0.99 DPP4 (0.49) DPP4KDM1AALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL7205702 0.99 DPP4 (0.49) DPP4KDM1AALDH1A1KDM4EMAPT
SCHEMBL6441313 0.95 DPP4 (0.50) DPP4KDM1AALDH1A1HPGDQDPR
SCHEMBL6441317 0.95 DPP4 (0.50) DPP4KDM1AALDH1A1HPGDQDPR
SCHEMBL6441320 0.95 DPP4 (0.50) DPP4KDM1AALDH1A1HPGDQDPR
Hydrochloric Acid SCHEMBL6438947 0.94 DPP4 (0.49) DPP4KDM1AMEN1KMT2AQDPR
Hydrochloric Acid SCHEMBL6438943 0.94 DPP4 (0.49) DPP4KDM1AMEN1KMT2AQDPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968211-B1 TETRAZOLE DERIVATIVES ALTANA PHARMA AG (DE) 2003-08-27 EP disclosed
US-6143759-A ANTIINFLAMMATORY AGENTS AND ANTICOAGULANTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-11-07 US disclosed
EP-0968211-A1 NOVEL TETRAZOLES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2000-01-05 EP disclosed
WO-1998040382-A1 NOVEL TETRAZOLES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-09-17 WO disclosed