SCHEMBL20541985

SCHEMBL20541985

O=C(Nc1ccccc1-c1cc2ccc(CN3CCN(C(=O)O)CC3)cc2o1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.49
HTR2C P28335 3/20 0.45
MCHR1 Q99705 3/20 0.45
SUCNR1 Q9BXA5 1/20 0.43
FAAH O00519 3/20 0.43
BACE1 P56817 1/20 0.43
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DRD4 P21917 1/20 0.41
HDAC3 O15379 2/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL20542002 0.95 MCHR1 (0.45) HDAC1MCHR1SUCNR1FAAHS1PR1
SCHEMBL20541734 0.92 FAAH (0.44) HDAC1FAAHBACE1S1PR1S1PR3
SCHEMBL20542055 0.92 RAB9A (0.46) HDAC1HTR2CMCHR1FAAHS1PR1
SCHEMBL20541736 0.91 NPC1 (0.49) MCHR1FAAHS1PR1S1PR3GAA
SCHEMBL20541739 0.90 MEN1 (0.42) MCHR1FAAHS1PR1S1PR3MEN1
SCHEMBL20541643 0.89 ALDH1A1 (0.46) FAAHMEN1ALDH1A1GAAMAPT
SCHEMBL20542188 0.89 FAAH (0.47) FAAHS1PR1S1PR3MEN1MAPT
Hydrochloric Acid SCHEMBL20541981 0.89 HDAC1 (0.59) HDAC1HTR2CMCHR1BACE1HDAC3
SCHEMBL20541859 0.87 FAAH (0.45) HDAC1MCHR1SUCNR1FAAHMEN1
SCHEMBL20542082 0.86 MEN1 (0.51) FAAHS1PR1S1PR3MEN1ALDH1A1

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
EP-3613735-B1 NOVEL SIRT 1 ACTIVATOR AND MEDICINAL USE THEREOF NAT UNIV PUSAN IND UNIV COOP FOUND (KR) 2023-04-12 EP disclosed
EP-3613735-A1 NOVEL SIRT 1 ACTIVATOR AND MEDICINAL USE THEREOF Pusan National University Industry - University Cooperation Foundation (KR) 2020-02-26 EP disclosed
WO-2018194372-A1 NOVEL SIRT 1 ACTIVATOR AND MEDICINAL USE THEREOF 부산대학교 산학협력단 2018-10-25 WO disclosed