SCHEMBL11258019

SCHEMBL11258019

Oc1cc2c(cc1O)C=CN(Cc1ccccc1)C=C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.47
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
IDH1 O75874 1/20 0.40
GPR35 Q9HC97 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 2/20 0.38
IGF1R P08069 1/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
MGLL Q99685 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
EP300 Q09472 1/20 0.36

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
SCHEMBL24938710 0.76 MGLL (0.45) HDAC8HDAC6MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL28835985 0.74 MGLL (0.43) HDAC8HDAC6MEN1KMT2AKDM4E
SCHEMBL14437018 0.72 MGLL (0.42) SRCHDAC8HDAC6MEN1KMT2A
Hydrochloric Acid SCHEMBL30234811 0.72 MGLL (0.42) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL6705444 0.66 SIGMAR1 (0.48) ALDH1A1GSK3AGSK3BMGLLSIGMAR1
SCHEMBL21104726 0.66 SIGMAR1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2GSK3A
SCHEMBL6615669 0.66 GSK3A (0.36) HDAC8HDAC6KDM4EALDH1A1SMN1; SMN2
SCHEMBL6615746 0.64 GSK3A (0.47) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL27706105 0.64 SIGMAR1 (0.41) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL9601544 0.64 SIGMAR1 (0.52) SRCSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0002327-B1 PHARMACOLOGICALLY ACTIVE 6-LOWER ALKYL-7,8-DIHYDROXY-1-PHENYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINES, METHOD OF PREPARING THEM AND INTERMEDIATES SMITHKLINE BECKMAN CORPORATION (US) 1982-08-04 EP disclosed
US-4342686-A Intermediates for preparing 6-lower alkyl-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepines SMITHKLINE CORPORATION (US) 1982-08-03 US disclosed
EP-0004794-B1 SUBSTITUTED BENZAZEPINES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1982-04-28 EP disclosed
US-4265889-A DOPAMINERGIC, HYPOTENSIVE SMITHKLINE CORPORATION (US) 1981-05-05 US disclosed
EP-0004794-A2 Substituted benzazepines, processes for preparing them and pharmaceutical compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1979-10-17 EP disclosed
US-4165372-A 6-Carboxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine compounds and use as dopaminergic agents SMITHKLINE CORPORATION (US) 1979-08-21 US disclosed
EP-0002327-A1 Pharmacologically active 6-lower alkyl-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepines, method of preparing them and intermediates SMITHKLINE BECKMAN CORPORATION (US) 1979-06-13 EP disclosed