SCHEMBL9846706

SCHEMBL9846706

CCCCc1nc(Cl)c(CO)n1Cc1ccc2[nH]c(-c3ccccc3C#N)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.54
AGTR2 P50052 2/20 0.54
ABCC4 O15439 1/20 0.53
ABCB11 O95342 1/20 0.53
PDE3B Q13370 1/20 0.53
PDE3A Q14432 1/20 0.53

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
SCHEMBL541 0.86 AGTR1 (0.69) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL9846674 0.84 AGTR1 (0.55) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL9860045 0.82 AGTR1 (0.54) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL27451816 0.82 AGTR1 (0.53) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL7177667 0.81 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL21083962 0.80 AGTR1 (0.64) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL12716746 0.79 PPARG (0.60) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL9859983 0.79 AGTR1 (0.51) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL10589345 0.78 PPARG (0.59) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL9309742 0.78 AGTR1 (0.51) AGTR1AGTR2ABCC4ABCB11PDE3B

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