SCHEMBL7429133

SCHEMBL7429133

Cc1cc(N(C)c2ccc(OC(c3ccccc3)c3nnn[nH]3)cc2)n2nccc2n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
TSHR P16473 1/20 0.31
KCNN3 Q9UGI6 1/20 0.31

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
SCHEMBL7443078 0.89 DPP4 (0.40) DPP4ADRA2AADRA2BADRA2CKCNN3
SCHEMBL7441954 0.83 DPP4 (0.42) DPP4UBE2MDCUN1D1TSHRKCNN3
SCHEMBL7443212 0.82 DPP4 (0.41) DPP4UBE2MDCUN1D1TSHRKCNN3
SCHEMBL7445707 0.81 DPP4 (0.42) DPP4UBE2MDCUN1D1TSHRKCNN3
SCHEMBL7429149 0.80 KCNN3 (0.44) DPP4KCNN3
SCHEMBL7436891 0.78 DPP4 (0.40) DPP4UBE2MDCUN1D1TSHR
SCHEMBL7438702 0.75 DPP4 (0.42) DPP4UBE2MDCUN1D1TSHR
SCHEMBL7441912 0.73 DPP4 (0.41) DPP4KCNN3
SCHEMBL7440552 0.73 KCNN3 (0.38) KCNN3
SCHEMBL7443099 0.72 AGTR1 (0.47) DPP4KCNN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628559-B1 Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF LILLY GMBH (DE) 2002-04-03 EP disclosed
US-5602136-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5602137-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5571813-A Fused pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1996-11-05 US disclosed
EP-0628559-A1 Pyrimidine compounds and their use as pharmaceuticals Beiersdorf-Lilly GmbH (DE) 1994-12-14 EP disclosed