SCHEMBL23201256

SCHEMBL23201256

CCCCOC(=O)N1CCC(c2ccccc2)CC1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
SLC18A3 Q16572 1/20 0.44
PPARG P37231 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CHRM4 P08173 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
TACR1 P25103 1/20 0.42
ACE P12821 2/20 0.41
ACE2 Q9BYF1 2/20 0.41
AGTR2 P50052 2/20 0.40
ECE1 P42892 1/20 0.40
BCHE P06276 1/20 0.40
DRD2 P14416 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
SCHEMBL23201272 0.89 PPARG (0.46) PRMT5WDR77PPARGL3MBTL1CHRM4
SCHEMBL23490771 0.83 TLR2 (0.45) SLC18A3PPARGCHRM4CHRM2CHRM5
SCHEMBL8922008 0.80 CHRM4 (0.59) PRMT5WDR77SLC18A3L3MBTL1CHRM4
SCHEMBL7672219 0.79 RAB9A (0.50) L3MBTL1ACEACE2BCHE
SCHEMBL4748923 0.79 RAB9A (0.50) L3MBTL1ACEACE2BCHE
SCHEMBL5491802 0.79 RAB9A (0.50) L3MBTL1ACEACE2BCHE
SCHEMBL18065023 0.79 RAB9A (0.42) L3MBTL1TACR1ACEACE2ECE1
SCHEMBL23116494 0.78 HTRA1 (0.49) AGTR2
SCHEMBL15030122 0.78 HTRA1 (0.49) AGTR2
SCHEMBL23116487 0.78 HTRA1 (0.49) AGTR2

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
EP-3802489-A2 MASP-2 INHIBITORS AND METHODS OF USE Omeros Corporation (US) 2021-04-14 EP disclosed