SCHEMBL5049598

SCHEMBL5049598

NC(=O)C(c1ccccc1)C1CCC1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1E P28566 3/20 0.57
S1PR3 Q99500 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
LMNA P02545 3/20 0.57
MAPT P10636 1/20 0.57
CHRM3 P20309 4/20 0.53
HTT P42858 1/20 0.48
CYP3A4 P08684 2/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL4866289 0.96 HTR1E (0.61) HTR1ES1PR3MEN1KMT2ALMNA
SCHEMBL3639348 0.95 MEN1 (0.59) HTR1ES1PR3MEN1KMT2ALMNA
SCHEMBL14453324 0.95 MEN1 (0.59) HTR1ES1PR3MEN1KMT2ALMNA
SCHEMBL5051927 0.95 MEN1 (0.59) HTR1ES1PR3MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL5051899 0.95 HTR1E (0.59) HTR1ES1PR3MEN1KMT2ALMNA
SCHEMBL14453320 0.95 MEN1 (0.59) HTR1ES1PR3MEN1KMT2ALMNA
Water SCHEMBL28154809 0.93 MEN1 (0.58) HTR1ES1PR3MEN1KMT2ALMNA
SCHEMBL22188704 0.92 HTR1E (0.51) HTR1ES1PR3MEN1KMT2ALMNA
SCHEMBL4176732 0.92 HTR1E (0.51) HTR1ES1PR3MEN1KMT2ALMNA
SCHEMBL67619 0.85 HTR1E (0.60) HTR1ES1PR3MEN1KMT2ALMNA

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-1948164-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP claimed
WO-2007045979-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO claimed
EP-4323350-A1 ISOINDOLINONE COMPOUNDS Monte Rosa Therapeutics AG (CH) 2024-02-21 EP disclosed