SCHEMBL29065674

SCHEMBL29065674

N#Cc1ccccc1CCC(=O)Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
HTT P42858 1/20 0.57
GAA P10253 2/20 0.51
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
HDAC4 P56524 6/20 0.49
HDAC1 Q13547 6/20 0.49
HDAC7 Q8WUI4 6/20 0.49
HDAC11 Q96DB2 6/20 0.49
HDAC8 Q9BY41 6/20 0.49
HDAC6 Q9UBN7 6/20 0.49
HDAC9 Q9UKV0 6/20 0.49
HDAC5 Q9UQL6 6/20 0.49
HDAC3 O15379 5/20 0.49
HDAC2 Q92769 5/20 0.49
HDAC10 Q969S8 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP3A4 P08684 3/20 0.48

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
SCHEMBL30529924 0.84 CYP1A2 (0.59) MAPTGAAKDM4ESMN1; SMN2POLB
SCHEMBL16415931 0.84 CYP1A2 (0.59) MAPTGAAKDM4ESMN1; SMN2POLB
SCHEMBL30740885 0.80 FFAR1 (0.62)
SCHEMBL447652 0.80 FFAR1 (0.62)
SCHEMBL5902886 0.76 MAPT (0.62) MAPTHTTGAAKDM4ESMN1; SMN2
SCHEMBL2410483 0.76 FFAR1 (0.47) GAAKDM4ERAB9AL3MBTL1TSHR
SCHEMBL6365366 0.76 ALDH1A1 (0.50) GAAKDM4ERAB9ATSHRLMNA
SCHEMBL9550361 0.76 L3MBTL1 (0.61) MAPTHTTKDM4ESMN1; SMN2HDAC4
Phenyl Propionic Acid SCHEMBL5407020 0.75 FFAR1 (0.68) SMN1; SMN2POLBRAB9AHDAC4HDAC1
SCHEMBL3115166 0.75 FFAR1 (0.47) GAAKDM4ESMN1; SMN2POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605286-B Preparation method and application of pirenzepine intermediate 山东达因海洋生物制药股份有限公司 2023-09-08 CN claimed
CN-114605286-B Preparation method and application of pirenzepine intermediate 山东达因海洋生物制药股份有限公司 2023-09-08 CN disclosed
CN-114605286-B Preparation method and application of pirenzepine intermediate 山东达因海洋生物制药股份有限公司 2023-09-08 CN disclosed