SCHEMBL21022645

SCHEMBL21022645

N#Cc1cc(-c2cccc(-n3c4ccccc4c4cc(-c5ccccn5)ccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.46
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL14733874 0.89 HTR1A (0.45) GRM5HTR1AHTR7KDM4E
SCHEMBL21022643 0.87 ATM (0.41) HTR1AHTR7KDM4EALDH1A1HTT
SCHEMBL21984601 0.87 ATM (0.41) HTR1AHTR7KDM4EALDH1A1HTT
SCHEMBL21022646 0.87 ATM (0.41) HTR1AHTR7KDM4EALDH1A1HTT
SCHEMBL16902187 0.85 KDM4E (0.46) GRM5HTR1AHTR7KDM4E
SCHEMBL24039773 0.85 GRM5 (0.44) GRM5HTR1AHTR7KDM4E
SCHEMBL22153675 0.84 KDM4E (0.40) GRM5KDM4EALDH1A1
SCHEMBL22153652 0.84 KDM4E (0.40) GRM5KDM4EALDH1A1
SCHEMBL14733832 0.84 HTR1A (0.44) GRM5HTR1AHTR7KDM4E
SCHEMBL15469024 0.84 ATM (0.44) GRM5KDM4EALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3490023-B1 COMPOSITION, THIN FILM INCLUDING THE COMPOSITION, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE THIN FILM SAMSUNG ELECTRONICS CO LTD (KR) 2020-04-22 EP disclosed
US-20190157570-A1 COMPOSITION, THIN FILM INCLUDING THE COMPOSITION, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE THIN FILM SAMSUNG ELECTRONICS CO LTD (KR) 2019-05-23 US disclosed