SCHEMBL4757757

SCHEMBL4757757

Cc1cn(-c2cc(Cl)cc(C(=O)OC(C)(C)C)c2)c(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.43
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
GRM5 P41594 1/20 0.34
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
NR3C1 P04150 1/20 0.33
NR3C2 P08235 1/20 0.33
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TSHR P16473 1/20 0.32
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRA6 Q16445 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL4756971 0.85 ALDH1A1 (0.41) CNR2GRM5KMT2AMAPTMEN1
SCHEMBL4757752 0.81 TPMT (0.47) GRM5KMT2AMEN1NPSR1TSHR
SCHEMBL4756946 0.79 GPR35 (0.42) GRM5KMT2AMAPTMEN1RECQL
SCHEMBL3844831 0.75 TPMT (0.46) KMT2AMAPTMEN1GABRA1GABRG2
SCHEMBL1425511 0.70 CA12 (0.40) CNR1CNR2KMT2AMAPTMEN1
SCHEMBL1425447 0.70 ALDH1A1 (0.39) CNR1CNR2KMT2AGABRA1GABRG2
SCHEMBL5868918 0.70 GPR119 (0.42) GPR119GRM5NR3C1NR3C2NPSR1
SCHEMBL454678 0.69 ALDH1A1 (0.40) CNR1CNR2KMT2AGABRA1GABRG2
SCHEMBL31646442 0.68 NOTUM (0.41) CNR1CNR2KMT2AMAPTMEN1
SCHEMBL31647047 0.68 TP53 (0.40) KMT2AMAPTMEN1GABRA1GABRG2

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
WO-2009000819-A1 5-PHENYL-1,3,4-OXADIAZOL-2-YL-ACETYL-4-PIPERIDINYL DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-31 WO disclosed
WO-2009000819-A1 5-PHENYL-1,3,4-OXADIAZOL-2-YL-ACETYL-4-PIPERIDINYL DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-31 WO disclosed