SCHEMBL20542002

SCHEMBL20542002

O=C(Nc1ccccc1-c1cc2ccc(CN3CCN(C(=O)O)CC3)cc2o1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.45
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
DRD4 P21917 2/20 0.44
FAAH O00519 2/20 0.44
CCR3 P51677 1/20 0.42
ACHE P22303 1/20 0.42
AURKA O14965 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CDK2 P24941 1/20 0.42
AURKB Q96GD4 1/20 0.42
DRD2 P14416 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HDAC1 Q13547 3/20 0.41
RAB9A P51151 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 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
SCHEMBL20541985 0.95 HDAC1 (0.49) MCHR1S1PR1S1PR3DRD4FAAH
SCHEMBL20541734 0.94 FAAH (0.44) S1PR1S1PR3DRD4FAAHALDH1A1
SCHEMBL20541739 0.94 MEN1 (0.42) MCHR1S1PR1S1PR3DRD4FAAH
SCHEMBL20542055 0.94 RAB9A (0.46) MCHR1S1PR1S1PR3DRD4FAAH
SCHEMBL20541736 0.93 NPC1 (0.49) MCHR1S1PR1S1PR3DRD4FAAH
SCHEMBL20541859 0.92 FAAH (0.45) MCHR1DRD4FAAHAURKAAURKB
SCHEMBL20542082 0.92 MEN1 (0.51) S1PR1S1PR3FAAHALDH1A1MEN1
SCHEMBL20541643 0.91 ALDH1A1 (0.46) DRD4FAAHACHEALDH1A1MEN1
SCHEMBL20542188 0.90 FAAH (0.47) S1PR1S1PR3DRD4FAAHCCR3
SCHEMBL20542016 0.88 BACE1 (0.44) S1PR1S1PR3DRD4FAAHALDH1A1

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