SCHEMBL11286133

SCHEMBL11286133

CCc1ccccc1N1CCC2(CC1)OCC(=O)N(C)C2CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.37
LMNA P02545 4/20 0.36
HTR1A P08908 2/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
DRD3 P35462 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
PKM P14618 1/20 0.36
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 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
SCHEMBL11289006 0.87 LMNA (0.39) TRPV1LMNAHTR1ADRD2DRD4
SCHEMBL11281691 0.85 DRD2 (0.39) LMNAHTR1ADRD2DRD4HTR2A
SCHEMBL11287243 0.79 LMNA (0.39) TRPV1LMNAHTR1ADRD2DRD4
SCHEMBL11279680 0.77 LMNA (0.37) TRPV1LMNAHTR1ADRD2DRD4
SCHEMBL11290953 0.76 TRPV1 (0.39) TRPV1LMNAHTR1ADRD2DRD4
SCHEMBL11288979 0.75 LMNA (0.42) TRPV1LMNAHTR1ADRD2DRD4
SCHEMBL11287197 0.74 SIGMAR1 (0.59) LMNAHTR1ADRD2DRD4HTR2A
SCHEMBL11227136 0.72 HTR2A (0.31) HTR2AHTR2C
SCHEMBL11284731 0.72 TRPV1 (0.38) TRPV1LMNAHTR1ADRD2DRD4
Hydrochloric Acid SCHEMBL11288527 0.72 HTR2A (0.50) HTR1ADRD2DRD4HTR2ADRD3

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