SCHEMBL4757749

SCHEMBL4757749

O=C(O)Cc1nnc(-c2cc(Cl)cc(-c3cncnc3)c2)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
FTO Q9C0B1 1/20 0.35
NOTUM Q6P988 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PKM P14618 2/20 0.34
NR1H4 Q96RI1 1/20 0.34
AKR1B1 P15121 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
FAAH O00519 1/20 0.34
ATR Q13535 1/20 0.34

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
SCHEMBL4758257 0.86 RXRA (0.43) CALCRLSMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL4757918 0.81 CALCRL (0.40) CALCRLSMN1; SMN2MAPTL3MBTL1MEN1
Lithium SCHEMBL4757927 0.81 CALCRL (0.40) CALCRLSMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL4758251 0.80 CALCRL (0.46) CALCRLSMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL4757784 0.76 CALCRL (0.53) CALCRLSMN1; SMN2MAPTL3MBTL1NOTUM
SCHEMBL4757886 0.76 NOTUM (0.48) CALCRLSMN1; SMN2MAPTL3MBTL1NOTUM
Lithium SCHEMBL4757890 0.76 NOTUM (0.48) CALCRLSMN1; SMN2MAPTL3MBTL1NOTUM
SCHEMBL4757912 0.74 RXRA (0.38) CALCRLSMN1; SMN2MAPTL3MBTL1NOTUM
SCHEMBL4755677 0.73 CALCRL (0.54) CALCRLSMN1; SMN2MAPTMEN1USP2
SCHEMBL4756936 0.73 CALCRL (0.53) CALCRLSMN1; SMN2MAPTMEN1USP2

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