SCHEMBL9709709

SCHEMBL9709709

Cc1cc(N(C)c2ccc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2ncccc2n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
TOP1 P11387 8/20 0.35
AGT P01019 2/20 0.33
CRHR1 P34998 2/20 0.33
P2RX7 Q99572 2/20 0.32
DHODH Q02127 1/20 0.32

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
SCHEMBL9709724 0.90 AGTR1 (0.39) AGTR1AGTR2TOP1AGTP2RX7
SCHEMBL9709702 0.79 AGTR1 (0.42) AGTR1AGTR2TOP1AGTP2RX7
SCHEMBL9709627 0.79 AGTR1 (0.38) AGTR1AGTR2AGTDHODH
SCHEMBL9709580 0.74 AGT (0.35) AGTR1AGTR2AGT
SCHEMBL9709718 0.72 AGTR1 (0.42) AGTR1AGTR2AGTP2RX7
SCHEMBL9177563 0.71 AGTR1 (0.47) AGTR1AGTR2AGT
SCHEMBL635 0.71 AGTR1 (0.51) AGTR1AGTR2AGT
SCHEMBL30956037 0.71 AGTR1 (0.51) AGTR1AGTR2AGT
SCHEMBL9709746 0.71 AGTR1 (0.39) AGTR1AGTR2AGT
SCHEMBL8698703 0.71 AGTR1 (0.47) AGTR1AGTR2AGT

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
WO-1992022533-A1 4-AMINOQUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UPJOHN COMPANY (US) 1992-12-23 WO disclosed