SCHEMBL9846795

SCHEMBL9846795

CCCCc1nccn1Cc1ccc2[nH]c(-c3ccccc3N)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.48
AGTR2 P50052 1/20 0.48
PPARG P37231 1/20 0.39
FFAR1 O14842 5/20 0.39
KCNH2 Q12809 2/20 0.36
HDAC1 Q13547 1/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL9846728 0.85 AGTR1 (0.67) AGTR1AGTR2PPARGFFAR1
SCHEMBL9846714 0.84 AGTR1 (0.47) AGTR1AGTR2PPARGFFAR1MAPT
SCHEMBL9846708 0.83 AGTR1 (0.54) AGTR1AGTR2PPARGFFAR1HSP90AA1
SCHEMBL9846705 0.80 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL29136624 0.71 AGTR1 (0.57) AGTR1AGTR2KCNH2HSP90AA1
SCHEMBL9214231 0.71 AGTR1 (0.66) AGTR1AGTR2KCNH2HDAC1HPGD
SCHEMBL9846692 0.70 AGTR1 (0.43) AGTR1AGTR2HSP90AA1
SCHEMBL29037510 0.69 AGTR1 (0.57) AGTR1AGTR2KCNH2HDAC1HSP90AA1
SCHEMBL9846721 0.69 AGTR1 (0.64) AGTR1AGTR2HDAC1
SCHEMBL11014930 0.68 AGTR1 (0.61) AGTR1AGTR2KCNH2HDAC1HPGD

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
EP-0429257-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1991-05-29 EP disclosed