SCHEMBL20686997

SCHEMBL20686997

Bc1ccc(OC2CCNC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.53
CHRNA4 P43681 1/20 0.53
HRH1 P35367 2/20 0.52
PRKCZ Q05513 1/20 0.51
ROCK1 Q13464 3/20 0.48
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
CHUK O15111 1/20 0.43
DYRK3 O43781 1/20 0.43
ROCK2 O75116 1/20 0.43
MAP4K4 O95819 1/20 0.43
PIM1 P11309 1/20 0.43
PRKACA P17612 1/20 0.43
RPS6KB1 P23443 1/20 0.43
AKT1 P31749 1/20 0.43
CLK2 P49760 1/20 0.43
PRKX P51817 1/20 0.43
PRKG2 Q13237 1/20 0.43
DYRK1A Q13627 1/20 0.43
PRKG1 Q13976 1/20 0.43

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
SCHEMBL18620969 0.89 HRH1 (0.66) CHRNB2CHRNA4HRH1PRKCZROCK1
SCHEMBL3133920 0.83 PRKCZ (0.56) CHRNB2CHRNA4HRH1PRKCZROCK1
SCHEMBL4067092 0.83 PRKCZ (0.56) CHRNB2CHRNA4HRH1PRKCZROCK1
SCHEMBL7000861 0.83 PRKCZ (0.56) CHRNB2CHRNA4HRH1PRKCZROCK1
SCHEMBL305532 0.81 CHRNB2 (0.53) CHRNB2CHRNA4HRH1PRKCZROCK1
SCHEMBL18295396 0.81 HTR2C (0.59) CHRNB2CHRNA4HRH1PRKCZROCK1
SCHEMBL2344178 0.81 HTR2C (0.66) CHRNB2CHRNA4HRH1PRKCZHTR2C
SCHEMBL22953684 0.81 HTR2C (0.59) CHRNB2CHRNA4HRH1PRKCZROCK1
SCHEMBL22953095 0.81 HTR2C (0.59) CHRNB2CHRNA4HRH1PRKCZROCK1
SCHEMBL4125994 0.81 HTR2C (0.59) CHRNB2CHRNA4HRH1PRKCZROCK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4006017-A1 SGLT2/DPP4 INHIBITOR AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2022-06-01 EP disclosed
EP-3524600-B1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS SANOFI SA (FR) 2021-11-17 EP disclosed
EP-3416962-B1 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS SANOFI SA (FR) 2021-05-05 EP disclosed
EP-3524600-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS Sanofi (FR) 2019-08-14 EP disclosed
EP-3434272-A1 COMBINATION COMPRISING PALBOCICLIB AND 6-(2,4-DICHLOROPHENYL)-5-[4-[(3S)-1-(3-FLUOROPROPYL)PYRROLIDIN-3-YL]OXYPHENYL]-8,9-DIHYDRO-7H-BENZO[7]ANNULENE-2-CARBOXYLIC ACID SANOFI (FR) 2019-01-30 EP disclosed