SCHEMBL9853328

SCHEMBL9853328

CCCCCN1CC=CC=CO1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
GNAI3 P08754 1/20 0.30
GNAO1 P09471 1/20 0.30
GNAI1 P63096 1/20 0.30

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
Piperazine SCHEMBL1443448 0.79 GNAO1 (0.35) GNAI3GNAO1GNAI1
SCHEMBL38663400 0.75
SCHEMBL28481306 0.73
SCHEMBL1101241 0.67 GBA2 (0.32) GNAI3GNAO1GNAI1
SCHEMBL809348 0.67 PTGS1 (0.31)
SCHEMBL7059359 0.65 PTGS1 (0.34) EBPSIGMAR1
SCHEMBL7059429 0.65 PTGS1 (0.34) EBPSIGMAR1
SCHEMBL10456038 0.65 PTGS1 (0.34) EBPSIGMAR1GNAI3GNAO1GNAI1
SCHEMBL7060655 0.65 PTGS1 (0.34) EBPSIGMAR1
SCHEMBL5552727 0.65 PTGS1 (0.34) EBPSIGMAR1GNAI3GNAO1GNAI1

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-0413300-A1 Pyrido [3,4-b][1,4] benzoxazepines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-02-20 EP disclosed
US-4940704-A Pyrido[3,4-b][1,4]benzoxazepines HOECHST-ROUSSEL PHARMACEUTICAL INC. (US) 1990-07-10 US disclosed