SCHEMBL9703208

SCHEMBL9703208

Cc1ccc2c(c1)c(C(=O)OC1CCN(CCNS(C)(=O)=O)CC1)cn2C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.61
NPSR1 Q6W5P4 3/20 0.61
CYP2C9 P11712 3/20 0.61
PMP22 Q01453 2/20 0.61
CYP1A2 P05177 1/20 0.61
ALOX15 P16050 1/20 0.61
NFKB1 P19838 1/20 0.61
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
HTR3A P46098 5/20 0.43
MEN1 O00255 2/20 0.42
CYP3A4 P08684 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
GSK3B P49841 1/20 0.41
NR4A2 P43354 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL7358522 0.91 HTR4 (0.60) HTR4NPSR1CYP2C9PMP22CYP1A2
SCHEMBL9703205 0.83 HTR4 (0.52) HTR4NPSR1CYP2C9PMP22CYP1A2
SCHEMBL7300888 0.81 HTR4 (0.77) HTR4NPSR1CYP2C9PMP22CYP1A2
Hydrochloric Acid SCHEMBL7291228 0.80 HTR4 (0.76) HTR4NPSR1CYP2C9PMP22CYP1A2
SCHEMBL7305753 0.77 CNR1 (0.52) HTR4NPSR1CYP2C9PMP22CYP1A2
SCHEMBL29397805 0.76 HTR4 (1.00) HTR4NPSR1CYP2C9PMP22CYP1A2
SCHEMBL1502039 0.76 HTR4 (1.00) HTR4NPSR1CYP2C9PMP22CYP1A2
SCHEMBL7302808 0.74 HTR4 (0.71) HTR4NPSR1CYP2C9PMP22CYP1A2
SCHEMBL7358517 0.74 CYP2C9 (0.49) HTR4NPSR1CYP2C9PMP22CYP1A2
SCHEMBL7291933 0.73 HTR4 (0.61) HTR4NPSR1CYP2C9PMP22CYP1A2

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-1992014727-A1 3-PIPERIDINYLMETHYLCARBOXYLATE SUBSTITUTED INDOLES GLAXO GROUP LIMITED (GB) 1992-09-03 WO claimed