SCHEMBL5322283

SCHEMBL5322283

NC(=O)C(Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.55
PLAU P00749 3/20 0.55
PLAUR Q03405 3/20 0.55
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
KCNH2 Q12809 1/20 0.52
CAPN1 P07384 1/20 0.50
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
SIGMAR1 Q99720 1/20 0.49
POLB P06746 1/20 0.49
BLM P54132 1/20 0.49
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HPGD P15428 1/20 0.47

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
SCHEMBL12487367 0.82 RAB9A (0.59) PLAUPLAURALDH1A1MEN1KMT2A
SCHEMBL6192045 0.81 RAB9A (0.62) PLAUPLAURALDH1A1MEN1KMT2A
SCHEMBL5321539 0.80 ALDH1A1 (0.58) PLAUPLAURALDH1A1MEN1KMT2A
SCHEMBL11251072 0.78 SLC6A4 (0.55) PLAUPLAURALDH1A1LMNAL3MBTL1
SCHEMBL9011146 0.76 NPC1 (0.65) ALDH1A1MEN1KMT2ACAPN1LMNA
SCHEMBL5429317 0.75 MEN1 (0.55) PLAUPLAURALDH1A1MEN1KMT2A
SCHEMBL252026 0.74 HPGD (0.79) MAOBALDH1A1MEN1KMT2AKDM4E
SCHEMBL7129676 0.74 HPGD (0.79) MAOBALDH1A1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL1597472 0.73 HPGD (0.76) MAOBALDH1A1MEN1KMT2AKDM4E
SCHEMBL12777929 0.72 MAOB (0.68) MAOBALDH1A1KMT2APOLBBLM

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-2007096251-A1 INHIBITORS OF CPT IN THE CENTRAL NERVOUS SYSTEM AS ANTIDIABETIC AND/OR ANTI-OBESITY DRUGS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-08-30 WO claimed
WO-2007096251-A1 INHIBITORS OF CPT IN THE CENTRAL NERVOUS SYSTEM AS ANTIDIABETIC AND/OR ANTI-OBESITY DRUGS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-08-30 WO disclosed