SCHEMBL8201527

SCHEMBL8201527

Cc1ccc2[nH]cc(C(=O)[C@H]3CCCN3C(=O)OCc3ccccc3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
PREP P48147 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.47
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KLK7 P49862 1/20 0.47
KLK5 Q9Y337 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
CTSK P43235 1/20 0.47
CTRB1 P17538 1/20 0.46

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
SCHEMBL8201531 1.00 GFER (0.58) GFERMEN1KMT2APREPNPSR1
SCHEMBL8508418 1.00 GFER (0.58) GFERMEN1KMT2APREPNPSR1
SCHEMBL30053426 0.90 NPSR1 (0.51) GFERPREPNPSR1ALDH1A1TP53
SCHEMBL29206541 0.90 NPSR1 (0.51) GFERPREPNPSR1ALDH1A1TP53
SCHEMBL30877842 0.90 NPSR1 (0.51) GFERPREPNPSR1ALDH1A1TP53
SCHEMBL8208547 0.90 NPSR1 (0.51) GFERPREPNPSR1ALDH1A1TP53
SCHEMBL8208549 0.90 NPSR1 (0.51) GFERPREPNPSR1ALDH1A1TP53
SCHEMBL30053580 0.90 NPSR1 (0.51) GFERPREPNPSR1ALDH1A1TP53
SCHEMBL30055 0.89 GABRA1 (0.56) KMT2APREPNPSR1TSHRL3MBTL1
SCHEMBL30056 0.89 GABRA1 (0.56) KMT2APREPNPSR1TSHRL3MBTL1

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-6100291-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-08-08 US disclosed
US-5998462-A SEROTONIN RECEPTOR ANTAGONIST ALLELIX BIOPHARMACEUTICALS INC. (CA) 1999-12-07 US disclosed