SCHEMBL14570782

SCHEMBL14570782

C=C(N)COc1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 3/20 0.50
▸ KMT2A Q03164 5/20 0.45
▸ LMNA P02545 4/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ HPGD P15428 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTR7 P34969 1/20 0.44
▸ RAB9A P51151 5/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ NPC1 O15118 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ STAT1 P42224 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL9201393 0.81 KDM4E (0.61) GRM4KMT2ALMNASMN1; SMN2MEN1
SCHEMBL29384084 0.81 GRM4 (0.50) GRM4KMT2ALMNASMN1; SMN2MEN1
SCHEMBL2112699 0.81 GRM4 (0.50) GRM4KMT2ALMNASMN1; SMN2MEN1
SCHEMBL7776840 0.81 GRM4 (0.50) GRM4KMT2ALMNASMN1; SMN2MEN1
SCHEMBL28340763 0.77 GRM4 (0.58) GRM4KMT2ALMNASMN1; SMN2MEN1
SCHEMBL7470938 0.76 GRM4 (0.53) GRM4KMT2ALMNASMN1; SMN2MEN1
SCHEMBL3241147 0.74 PKM (0.64) GRM4KMT2ALMNASMN1; SMN2MEN1
SCHEMBL29128176 0.73 GRM4 (0.58) GRM4KMT2ALMNASMN1; SMN2MEN1
SCHEMBL9201385 0.73 GRM4 (0.58) GRM4KMT2ALMNASMN1; SMN2MEN1
SCHEMBL2321743 0.73 OGG1 (0.62) GRM4KMT2ALMNASMN1; SMN2MEN1

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
US-7186715-B2 Piperazine- and piperidine-derivatives as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-03-06 — — US disclosed
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