SCHEMBL8553528

SCHEMBL8553528

COc1ccccc1C(CCO[Si](C)(C)C(C)(C)C)CN(C)C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
HTT P42858 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
TACR2 P21452 4/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
LPAR1 Q92633 2/20 0.35
LPAR5 Q9H1C0 2/20 0.35
PKM P14618 1/20 0.35
LIMK2 P53671 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
TP53 P04637 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
SCHEMBL6595643 0.86 TACR2 (0.42) TACR2PDE4D
SCHEMBL6597939 0.86 TACR2 (0.41) TACR2
SCHEMBL6597348 0.84 L3MBTL1 (0.46) NPSR1L3MBTL1MEN1KMT2ATACR2
SCHEMBL6596380 0.82 TACR1 (0.40) POLBL3MBTL1MEN1KMT2APDE4D
SCHEMBL6597733 0.80 TACR2 (0.43) TACR2
SCHEMBL6597798 0.77 RAB9A (0.46) NPSR1HTTMEN1KMT2ATACR2
SCHEMBL6597619 0.77 TXNRD1 (0.38) L3MBTL1KMT2APKM
SCHEMBL6597803 0.76 TACR2 (0.34) MEN1KMT2ATACR2
SCHEMBL6595569 0.75 TP53 (0.42) NPSR1HTTPOLBL3MBTL1MEN1
SCHEMBL6595659 0.75 TP53 (0.39) MEN1KMT2ATACR2TP53

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
EP-0882038-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1998-12-09 EP disclosed
WO-1997030990-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed