SCHEMBL9215929

SCHEMBL9215929

Cc1ccc2c(c1)N=C(N1CCN(C)CC1)c1cccnc1O2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.78
HTR2A P28223 6/20 0.78
ADRA2A P08913 6/20 0.78
HRH4 Q9H3N8 5/20 0.60
HTR1A P08908 4/20 0.58
DRD2 P14416 2/20 0.55
NFKB1 P19838 1/20 0.55
BLM P54132 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
Fumaric Acid SCHEMBL9176756 0.91 DRD4 (0.81) DRD4HTR2AADRA2AHRH4HTR1A
Fumaric Acid SCHEMBL9176750 0.91 DRD4 (0.81) DRD4HTR2AADRA2AHRH4HTR1A
SCHEMBL9216773 0.87 DRD4 (1.00) DRD4HTR2AADRA2AHRH4HTR1A
SCHEMBL9218566 0.85 DRD4 (0.73) DRD4HTR2AADRA2AHRH4HTR1A
Fumaric Acid SCHEMBL9177908 0.80 HTR2A (1.00) DRD4HTR2AADRA2AHRH4HTR1A
Fumaric Acid SCHEMBL9177904 0.80 HTR2A (1.00) DRD4HTR2AADRA2AHRH4HTR1A
Fumaric Acid SCHEMBL29552949 0.80 HTR2A (1.00) DRD4HTR2AADRA2AHRH4HTR1A
SCHEMBL9210888 0.80 HRH4 (0.74) DRD4HTR2AADRA2AHRH4HTR1A
SCHEMBL9213677 0.77 DRD4 (0.78) DRD4HTR2AADRA2AHRH4HTR1A
Fumaric Acid SCHEMBL9177863 0.77 DRD4 (0.77) DRD4HTR2AADRA2AHRH4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607129-B1 METHYLPIPERAZINOAZEPINE DERIVATIVES, THEIR PREPARATION AND USE THERABEL RESEARCH SA (BE) 1995-08-23 EP claimed
EP-0607129-A1 METHYLPIPERAZINOAZEPINE DERIVATIVES, THEIR PREPARATION AND USE. THERABEL RESEARCH SA (BE) 1994-07-27 EP claimed
WO-1993007143-A1 METHYLPIPERAZINOAZEPINE DERIVATIVES, THEIR PREPARATION AND USE THERABEL RESEARCH S.A./N.V. (BE) 1993-04-15 WO claimed
EP-0607129-B1 METHYLPIPERAZINOAZEPINE DERIVATIVES, THEIR PREPARATION AND USE THERABEL RESEARCH SA (BE) 1995-08-23 EP disclosed
EP-0607129-A1 METHYLPIPERAZINOAZEPINE DERIVATIVES, THEIR PREPARATION AND USE. THERABEL RESEARCH SA (BE) 1994-07-27 EP disclosed
WO-1993007143-A1 METHYLPIPERAZINOAZEPINE DERIVATIVES, THEIR PREPARATION AND USE THERABEL RESEARCH S.A./N.V. (BE) 1993-04-15 WO disclosed