SCHEMBL21765697

SCHEMBL21765697

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.52
BLM P54132 1/20 0.39
NAMPT P43490 2/20 0.38
MEN1 O00255 2/20 0.38
TSHR P16473 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36
HPGDS O60760 1/20 0.36
LMNA P02545 1/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA7 P36544 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
OPRM1 P35372 1/20 0.35

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
SCHEMBL21765690 0.92 BLM (0.43) NOTUMBLMNAMPTMEN1TSHR
SCHEMBL21765692 0.78 NOTUM (0.57) NOTUMNAMPTMEN1KMT2AHRH3
SCHEMBL4773392 0.76 NOTUM (0.61) NOTUMBLMNAMPTMEN1KMT2A
SCHEMBL15989340 0.73 ESR1 (0.53) NAMPT
SCHEMBL14590717 0.72 NOTUM (0.60) NOTUMNAMPT
SCHEMBL21765682 0.71 NAMPT (0.36) NOTUMNAMPTMEN1KMT2AALDH1A1
SCHEMBL21606912 0.71 AOC3 (0.47) NAMPT
SCHEMBL21606902 0.71 AOC3 (0.47) NAMPTTDP1
SCHEMBL21606988 0.71 AOC3 (0.47) NAMPTTSHRKMT2ALMNASMN1; SMN2
SCHEMBL16284216 0.71 ABHD6 (0.55) NOTUMMEN1KMT2AALDH1A1KDM4E

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