SCHEMBL24329571

SCHEMBL24329571

CCc1ccc(Br)cc1OC1CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
POLB P06746 1/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A4 P31645 3/20 0.38
HTR6 P50406 2/20 0.38
CCR5 P51681 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL24329333 0.84 NPY1R (0.43) NPY1RNPY2RSLC6A4HTR6
SCHEMBL29333349 0.83 NPY1R (0.43) NPY1RNPY2RSLC6A4HTR6
SCHEMBL20562112 0.81 NPY1R (0.42) NPY1RNPY2RTSHRKDM4EMEN1
SCHEMBL8229273 0.79 GAA (0.44) POLBTSHRSMN1; SMN2KDM4EMEN1
SCHEMBL31053234 0.79 NPY1R (0.44) NPY1RNPY2RPOLBTSHRSMN1; SMN2
SCHEMBL27647596 0.78 NPY1R (0.44) NPY1RNPY2RPOLBTSHRLMNA
SCHEMBL24329334 0.77 NPY1R (0.42) NPY1RNPY2RSLC6A4HTR6
SCHEMBL20833810 0.77 NPY1R (0.42) NPY1RNPY2RSLC6A4HTR6KDM4E
SCHEMBL3484403 0.76 PYCR1 (0.53) TSHRSMN1; SMN2L3MBTL1KDM4EMEN1
SCHEMBL8237277 0.76 CREBBP (0.45) LMNAMEN1ALDH1A1KMT2A

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
WO-2022078152-A1 BENZIMIDAZOLONE GLP-1 RECEPTOR AGONIST AND USE THEREOF 杭州中美华东制药有限公司 2022-04-21 WO disclosed