SCHEMBL21747481

SCHEMBL21747481

O=C(Nc1ccccc1-c1nc2cc(CN3CCN(C4CCCCC4)CC3)ccc2o1)c1cnc2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.49
ACKR3 P25106 1/20 0.44
CHRM2 P08172 1/20 0.43
ADRA2A P08913 1/20 0.43
CHRM1 P11229 1/20 0.43
SLC6A2 P23975 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
PDCD1 Q15116 2/20 0.42
CD274 Q9NZQ7 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40

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
SCHEMBL21747442 0.88 SIRT1 (0.52) SIRT1ACKR3CHRM2ADRA2ACHRM1
SCHEMBL21747477 0.88 SIRT1 (0.51) SIRT1ACKR3CHRM2ADRA2ACHRM1
SCHEMBL21747487 0.87 PDCD1 (0.47) ACKR3PDCD1CD274HDAC6KDM4E
SCHEMBL30468245 0.87 SIRT1 (0.64) SIRT1ACKR3CHRM2ADRA2ACHRM1
SCHEMBL30468251 0.85 HDAC6 (0.47) SIRT1ACKR3PDCD1CD274HDAC6
SCHEMBL21747460 0.85 HDAC6 (0.47) SIRT1ACKR3PDCD1CD274HDAC6
Trifluoroacetic Acid SCHEMBL21747462 0.82 SIRT1 (0.59) SIRT1ACKR3CHRM2ADRA2ACHRM1
SCHEMBL21747456 0.81 HSD17B10 (0.54) SIRT1KDM4EALDH1A1MAPTNPC1
SCHEMBL21747491 0.77 NPC1 (0.49) PDCD1CD274HDAC6KDM4EALDH1A1
SCHEMBL21747471 0.75 HDAC1 (0.50) PDCD1CD274HDAC6KDM4EALDH1A1

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 4 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 claimed
EP-3613735-A1 NOVEL SIRT 1 ACTIVATOR AND MEDICINAL USE THEREOF Pusan National University Industry - University Cooperation Foundation (KR) 2020-02-26 EP claimed
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