SCHEMBL11287243

SCHEMBL11287243

CCc1ccccc1N1CCC2(CC1)OCC(=O)N(CC)C2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
HTR1A P08908 2/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
DRD3 P35462 2/20 0.33
PKM P14618 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL11289006 0.87 LMNA (0.39) LMNAMEN1MAPTKMT2ATSHR
SCHEMBL11279680 0.84 LMNA (0.37) LMNAMEN1MAPTKMT2ATSHR
SCHEMBL11281691 0.79 DRD2 (0.39) LMNAMEN1KMT2ACASP1CASP7
SCHEMBL11286133 0.79 TRPV1 (0.37) LMNAMEN1MAPTKMT2ATSHR
SCHEMBL11288979 0.77 LMNA (0.42) LMNAMEN1MAPTKMT2ATSHR
SCHEMBL11287225 0.77 SIGMAR1 (0.57) LMNATSHR
SCHEMBL11290953 0.74 TRPV1 (0.39) LMNAMEN1MAPTKMT2ATSHR
SCHEMBL11289188 0.73 FASN (0.44) LMNAMEN1MAPTKMT2ATSHR
SCHEMBL11233253 0.73 DRD2 (0.43) LMNAMEN1KMT2ATSHRHTR1A
SCHEMBL11221605 0.72

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
US-4353900-A HYPOTENSIVE, ANTIARRHYTHMIA, CARDIOTONIC, VASODILATORS SYNTEX (U.S.A.) INC. (US) 1982-10-12 US disclosed