SCHEMBL22563072

SCHEMBL22563072

O=C(O)c1ccc(C2=CCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.52
LNPEP Q9UIQ6 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
PRMT1 Q99873 1/20 0.48
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 4/20 0.45
ALOX15 P16050 3/20 0.45
TSHR P16473 1/20 0.45
CNR1 P21554 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 2/20 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
SCHEMBL8315932 0.91 MEN1 (0.57) GRM5LNPEPMEN1KMT2ANPSR1
SCHEMBL749352 0.90 GRM5 (0.54) GRM5LNPEPMEN1KMT2ANPSR1
SCHEMBL15747743 0.88 LNPEP (0.54) GRM5LNPEPMEN1KMT2ANPSR1
SCHEMBL21384574 0.86 TDP1 (0.50) GRM5LNPEPMEN1KMT2ANPSR1
SCHEMBL25201639 0.86 NAMPT (0.50) GRM5LNPEPMEN1KMT2ANPSR1
SCHEMBL22551192 0.85 GRM5 (0.48) GRM5LNPEPMEN1KMT2ANPSR1
SCHEMBL22551243 0.84 LNPEP (0.49) GRM5LNPEPMEN1KMT2ANPSR1
SCHEMBL6395476 0.84 NPC1 (0.53) GRM5LNPEPSMN1; SMN2NPC1RAB9A
SCHEMBL29087403 0.84 MEN1 (0.54) GRM5LNPEPMEN1KMT2ANPSR1
SCHEMBL29995210 0.84 MEN1 (0.54) GRM5LNPEPMEN1KMT2ANPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3725777-A1 BENZO- AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS Rottapharm Biotech S.r.l. (IT) 2020-10-21 EP disclosed