SCHEMBL21765690

SCHEMBL21765690

CCC(=O)N1Cc2cc3c(cc2C1)CN(C(=O)CC)C3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.43
NAMPT P43490 3/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRNB2 P17787 3/20 0.41
CHRNA3 P32297 3/20 0.41
CHRNA4 P43681 3/20 0.41
CHRNB3 Q05901 1/20 0.41
CHRNA6 Q15825 1/20 0.41
LMNA P02545 1/20 0.40
CHRNB4 P30926 2/20 0.39
CHRNA7 P36544 2/20 0.39
HPGDS O60760 1/20 0.39
NOTUM Q6P988 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OPRM1 P35372 1/20 0.39

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
SCHEMBL21765697 0.92 NOTUM (0.52) BLMNAMPTALDH1A1MEN1TSHR
SCHEMBL4773392 0.83 NOTUM (0.61) BLMNAMPTMEN1KMT2ALMNA
SCHEMBL15989340 0.79 ESR1 (0.53) NAMPTHSP90AA1
SCHEMBL21765682 0.77 NAMPT (0.36) NAMPTALDH1A1MEN1KMT2ALMNA
SCHEMBL21606912 0.77 AOC3 (0.47) NAMPTDPP8DPP9DPP7
SCHEMBL21606988 0.77 AOC3 (0.47) NAMPTTSHRKMT2ALMNASMN1; SMN2
SCHEMBL21606902 0.77 AOC3 (0.47) NAMPTDPP8DPP9DPP7
SCHEMBL23518496 0.77 HDAC6 (0.41) NAMPTNOTUMDPP8DPP9DPP7
SCHEMBL18170310 0.76
SCHEMBL14996180 0.74 KMT2A (0.67) ALDH1A1MEN1TSHRKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed