SCHEMBL20274183

SCHEMBL20274183

COc1ccc2oc(CN3CCN(C(=O)CO)CC3)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 9/20 0.54
DRD2 P14416 6/20 0.54
HTR1A P08908 3/20 0.54
MAOA P21397 1/20 0.51
GAA P10253 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL20651225 0.85 HTR2B (0.43) HTR2BDRD2HTR1AALDH1A1LMNA
SCHEMBL20274152 0.82 HTR2B (0.43) HTR2BDRD2HTR1AMEN1KMT2A
SCHEMBL20274139 0.82 HRH4 (0.47) HTR2BDRD2HTR1AGAAALDH1A1
SCHEMBL20274133 0.80 MAOA (0.51) HTR2BHTR1AMAOA
SCHEMBL20274217 0.77 HTR2B (0.39) HTR2BDRD2HTR1AMEN1KMT2A
SCHEMBL20274192 0.76 HRH3 (0.45) MAOA
SCHEMBL20274216 0.75 HTR2B (0.46) HTR2BDRD2HTR1AALDH1A1LMNA
SCHEMBL15724778 0.74 ALDH1A1 (0.56) HTR2BDRD2HTR1AALDH1A1LMNA
SCHEMBL11343183 0.73 GRIN2B (0.66) DRD2ALDH1A1LMNAMEN1KMT2A
SCHEMBL119001 0.73 CYP2A6 (0.51) GAAALDH1A1MEN1KMT2AKDM4E

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-2922845-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL INC (US) 2018-06-20 EP disclosed