SCHEMBL4292772

SCHEMBL4292772

N#Cc1cc(Cl)nc(OCc2cccc(Cl)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 1.00
MRGPRX4 Q96LA9 1/20 0.50
MAOB P27338 2/20 0.47
DHFR P00374 1/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CNR1 P21554 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
CHRM4 P08173 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
FPR3 P25089 1/20 0.44
HTR1D P28221 1/20 0.44

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 1.00 GRM5 (1.00) GRM5MRGPRX4MAOBDHFRHTR2A
SCHEMBL8773165 0.87 GRM5 (0.78) GRM5MRGPRX4MAOBCYP11B1CYP11B2
SCHEMBL4299874 0.87 GRM5 (1.00) GRM5MRGPRX4MAOBDHFRKDM4E
SCHEMBL8963208 0.85 GRM5 (0.74) GRM5MRGPRX4MAOBCYP11B1CYP11B2
SCHEMBL4297770 0.82 GRM5 (1.00) GRM5MRGPRX4CYP11B1CYP11B2
SCHEMBL4299839 0.79 GRM5 (1.00) GRM5MRGPRX4CYP11B1CYP11B2
SCHEMBL8546238 0.77 GRM5 (0.64) GRM5CYP11B1CYP11B2
SCHEMBL7292908 0.77 MAOB (0.67) GRM5MRGPRX4MAOBDHFR
SCHEMBL6285396 0.75 GRM5 (0.60) GRM5MRGPRX4MAOBHTR2AHTR2C
SCHEMBL6287266 0.74 HTR2A (0.60) GRM5MAOBDHFRHTR2AHTR2C

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