SCHEMBL4619441

SCHEMBL4619441

COc1ccc(N)cc1CC=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
GAA P10253 3/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 5/20 0.44
USP2 O75604 1/20 0.44
CYP19A1 P11511 3/20 0.43
TAAR1 Q96RJ0 2/20 0.43
ADRA1A P35348 1/20 0.43
LMNA P02545 1/20 0.43
NR4A1 P22736 1/20 0.42
IDO1 P14902 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL3003760 0.82 MAPT (0.57) MAPTGAATSHRMAPK1HTT
SCHEMBL3951418 0.81 GABRA1 (0.56) MAPTGAATSHRMAPK1HTT
SCHEMBL885029 0.81 HSD17B10 (0.57) ALDH1A1TAAR1ADRA1AIDO1
SCHEMBL30229484 0.81 HSD17B10 (0.57) ALDH1A1TAAR1ADRA1AIDO1
SCHEMBL30536248 0.81 ALDH1A1 (0.52) GAATSHRKDM4EALDH1A1USP2
SCHEMBL2689127 0.81 ALDH1A1 (0.52) GAATSHRKDM4EALDH1A1USP2
SCHEMBL12476008 0.81 ACHE (0.50) MAPTGAATSHRMAPK1KDM4E
SCHEMBL929750 0.80 MEN1 (0.45) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL696593 0.80 BACE1 (0.47) MAPTGAAHTTKDM4EALDH1A1
SCHEMBL1821904 0.80 KDM4E (0.51) MAPTGAATSHRMAPK1HTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888063-A1 ANTIFUNGAL AGENTS F2G Ltd. (GB) 2008-02-20 EP disclosed
WO-2006123145-A1 ANTIFUNGAL AGENTS F2G LTD (GB) 2006-11-23 WO disclosed
WO-2001046170-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO disclosed
WO-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO disclosed
EP-0866790-A1 3-BENZYLAMINOPYRROLIDINES AND -PIPERIDINES AS TACHYKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 1998-09-30 EP disclosed
WO-1997021702-A1 3-BENZYLAMINOPYRROLIDINES AND -PIPERIDINES AS TACHYKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1997-06-19 WO disclosed