SCHEMBL7140423

SCHEMBL7140423

Cc1cccc2c1CCn1ncnc1C2=C1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 5/20 0.43
CHRM2 P08172 4/20 0.40
HTR1A P08908 4/20 0.40
CHRM1 P11229 4/20 0.40
ADRA1A P35348 4/20 0.40
KCNH2 Q12809 4/20 0.40
CYP1A2 P05177 4/20 0.40
DRD2 P14416 3/20 0.40
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
HRH1 P35367 3/20 0.40
HTR2B P41595 3/20 0.40
ADRA2A P08913 3/20 0.40
DRD1 P21728 3/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
DRD3 P35462 3/20 0.40
SLC6A3 Q01959 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 3/20 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
SCHEMBL7136207 0.83 SETD7 (0.59) SETD7CHRM2HTR1ACHRM1ADRA1A
SCHEMBL9282274 0.81 HRH1 (0.49) CHRM2KCNH2HTR2AHRH1HTR2B
SCHEMBL8208865 0.76 HRH1 (0.52) SETD7CHRM2HTR1ACHRM1ADRA1A
SCHEMBL7140008 0.74 DRD2 (0.43) SETD7CHRM2HTR1ACHRM1ADRA1A
SCHEMBL7136262 0.74 PTAFR (0.43) SETD7CHRM2HTR1ACHRM1ADRA1A
SCHEMBL7174262 0.74 PTAFR (0.43) SETD7CHRM2HTR1ACHRM1ADRA1A
SCHEMBL7136431 0.72 DRD1 (0.46) SETD7DRD2HRH1DRD1DRD3
SCHEMBL8207791 0.71 DRD1 (0.39) SETD7CHRM2HTR1ACHRM1ADRA1A
SCHEMBL7141483 0.70 SETD7 (0.42) SETD7CHRM2HTR1ACHRM1ADRA1A
SCHEMBL9283218 0.69 SETD7 (0.34) SETD7CHRM2HTR1ACHRM1ADRA1A

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-0675887-B1 ANTIALLERGIC TRIAZOLOBENZAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-04-02 EP disclosed