SCHEMBL4299874

SCHEMBL4299874

Cc1cc(C#N)cc(OCc2cccc(Cl)c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 1.00
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
MAOB P27338 3/20 0.45
MAPT P10636 1/20 0.44
DHFR P00374 1/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL31060977 0.87 GRM5 (1.00) GRM5KDM4EHPGDMRGPRX4MAOB
SCHEMBL4292772 0.87 GRM5 (1.00) GRM5KDM4EHPGDMRGPRX4MAOB
SCHEMBL19755770 0.78 GRM5 (0.63) GRM5MAOBMAPT
SCHEMBL7292908 0.75 MAOB (0.67) GRM5MRGPRX4MAOBDHFRMAOA
SCHEMBL4299839 0.74 GRM5 (1.00) GRM5MRGPRX4MAPT
SCHEMBL8773165 0.74 GRM5 (0.78) GRM5MRGPRX4MAOB
SCHEMBL8963208 0.72 GRM5 (0.74) GRM5MRGPRX4MAOB
SCHEMBL28937457 0.72 GRM5 (0.56) GRM5MRGPRX4MAOBMAOA
SCHEMBL29559472 0.72 GRM5 (0.56) GRM5MRGPRX4MAOBMAOA
SCHEMBL21241049 0.70 GRM5 (0.53) GRM5KDM4EHPGDMAOBMAOA

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-20130149721-A1 Methods for Inhibiting Amyloid Precursor Protein and Beta-Amyloid Production and Accumulation WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-06-13 US disclosed
US-20090239888-A1 Methods for Inhibiting Amyloid Precursor Protein and Beta-Amyloid Production and Accumulation WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-09-24 US disclosed