SCHEMBL8901878

SCHEMBL8901878

COc1cc(NC(=O)C2CC2)ccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
KDM4E B2RXH2 1/20 0.62
ACHE P22303 1/20 0.55
BACE1 P56817 1/20 0.55
GRM4 Q14833 1/20 0.53
HPGD P15428 1/20 0.52
MAPT P10636 1/20 0.51
ALDH1A1 P00352 3/20 0.51
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
NAMPT P43490 1/20 0.50
GAA P10253 1/20 0.50
MALT1 Q9UDY8 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TP53 P04637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL4242416 0.89 POLB (0.62) POLBKDM4EACHEBACE1GRM4
SCHEMBL4249816 0.85 POLB (0.58) POLBKDM4EACHEBACE1GRM4
SCHEMBL4244832 0.83 POLB (0.63) POLBKDM4EACHEBACE1GRM4
SCHEMBL4238232 0.82 POLB (0.62) POLBKDM4EGRM4HPGDMAPT
SCHEMBL29130900 0.81 POLB (0.64) POLBACHEBACE1GRM4HPGD
SCHEMBL1162352 0.80 TDP1 (0.56) POLBKDM4EHPGDMAPTALDH1A1
SCHEMBL10105366 0.80 ALDH1A1 (0.56) POLBKDM4EHPGDMAPTALDH1A1
SCHEMBL4242005 0.80 GRM4 (0.59) POLBACHEBACE1GRM4MAPT
SCHEMBL4242042 0.79 GRM4 (0.61) POLBKDM4EGRM4HPGDMAPT
SCHEMBL22000031 0.78 POLB (0.64) POLBKDM4EACHEBACE1HPGD

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-5686482-A DOPAMINE RECEPTOR ANTAGONIST YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-11 US disclosed
EP-0757985-A1 N-(3-PYRROLIDINYL)BENZAMIDE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-02-12 EP disclosed