SCHEMBL8837014

SCHEMBL8837014

CCCN(Cc1ccccc1-c1ccccc1-c1nnn[nH]1)c1cc(C)nc2ccnn12

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 17/20 0.38
KCNN3 Q9UGI6 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
AGTR1 P30556 1/20 0.31
AGTR2 P50052 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
SCHEMBL7448563 0.88 AGTR1 (0.44) CRHR1AGTR1AGTR2
SCHEMBL7443465 0.78 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7437565 0.76 MAPT (0.38) UBE2MDCUN1D1AGTR1AGTR2
SCHEMBL7439284 0.75 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL7431258 0.75 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL7438702 0.75 DPP4 (0.42) UBE2MDCUN1D1
SCHEMBL7442522 0.75 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL7440067 0.75 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL7442873 0.73 CMKLR1 (0.38) AGTR1AGTR2
SCHEMBL7438261 0.72 DPP4 (0.34) CRHR1UBE2MDCUN1D1

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
US-5602136-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed