SCHEMBL8552803

SCHEMBL8552803

COc1ccc(CCC2NCCc3cccc(O)c32)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.45
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
GID4 Q8IVV7 1/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL8553841 0.88 KDM4E (0.50) KMT2AKDM4EMAPTPKMMEN1
SCHEMBL9411283 0.80 GID4 (0.59) OPRM1OPRK1GID4ADRA1DADRA1A
SCHEMBL8982764 0.77 TBXA2R (0.49) OPRM1KMT2AKDM4EMAPTPKM
SCHEMBL7744268 0.73 GRIN2B (0.47) OPRM1KMT2AMEN1
SCHEMBL6392691 0.73 KMT2A (0.70) KMT2A
SCHEMBL1364325 0.72 TSHR (0.41) KMT2AMAPTPOLB
SCHEMBL8556154 0.71 DRD2 (0.48) KDM1AOPRM1OPRK1KMT2AKDM4E
SCHEMBL1363422 0.71 KMT2A (0.39) KMT2AMEN1POLB
SCHEMBL12635434 0.70 SLC6A3 (0.55) KDM1AKMT2A
SCHEMBL6392485 0.70 KDM4C (0.49) KMT2AKDM4EMAPTPKM

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-0617022-B1 6,7, dialkoxy-3,4-dihydroisoquinolin-8-ol, process for preparation thereof and process for preparation of 6,7-dialkoxy-1,2,3,4-tetrahydroisoquinolin-8-ol using the compound BANYU PHARMA CO LTD (JP) 1998-02-11 EP disclosed