SCHEMBL4297770

SCHEMBL4297770

N#Cc1cc(Cl)nc(OCc2ccnc(Cl)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 1.00
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
RECQL P46063 1/20 0.41
LOX P28300 1/20 0.41
LOXL3 P58215 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.36
PDE5A O76074 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MGMT P16455 1/20 0.34
FFAR1 O14842 1/20 0.33
POLB P06746 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33

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
SCHEMBL4299839 0.88 GRM5 (1.00) GRM5CYP11B1CYP11B2RECQLMRGPRX4
SCHEMBL8773165 0.83 GRM5 (0.78) GRM5CYP11B1CYP11B2MRGPRX4GABRG2
SCHEMBL31060977 0.82 GRM5 (1.00) GRM5CYP11B1CYP11B2MRGPRX4
SCHEMBL4292772 0.82 GRM5 (1.00) GRM5CYP11B1CYP11B2MRGPRX4
SCHEMBL8963208 0.81 GRM5 (0.74) GRM5CYP11B1CYP11B2MRGPRX4GABRG2
SCHEMBL8546238 0.78 GRM5 (0.64) GRM5CYP11B1CYP11B2ALDH1A1
SCHEMBL23286912 0.73 GRM5 (0.57) GRM5FFAR1
SCHEMBL29738117 0.73 GRM5 (0.57) GRM5FFAR1
SCHEMBL29413268 0.71
SCHEMBL7016006 0.71 GRM5 (0.53) GRM5CYP11B1CYP11B2RECQLLOX

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