SCHEMBL9308540

SCHEMBL9308540

CCc1ccc2c(C)cc(=O)n(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
AGTR1 P30556 2/20 0.38
AGTR2 P50052 1/20 0.38

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
SCHEMBL9449474 0.81 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7284844 0.81 AGTR1 (0.43) AGTR1AGTR2
Hydrochloric Acid SCHEMBL9346934 0.81 AGTR1 (0.43) AGTR1AGTR2
Hydrochloric Acid SCHEMBL9346770 0.80 AGTR1 (0.41) AGTR1AGTR2
Hydrochloric Acid SCHEMBL9350439 0.80 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9308926 0.79 AGTR1 (0.38) AGTR1AGTR2
Hydrochloric Acid SCHEMBL9350392 0.79 PPARG (0.39) AGTR1
Hydrochloric Acid SCHEMBL9346785 0.77 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9310059 0.77 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9844095 0.76 AGTR1 (0.51) AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371226-A Hypotensive agents MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-12-06 US claimed
US-5371226-A Hypotensive agents MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-12-06 US disclosed