SCHEMBL7174262

SCHEMBL7174262

CN1CCC(=C2c3cc(Cl)ccc3CCn3ncnc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.43
GABRG2 P18507 5/20 0.40
GABRB3 P28472 5/20 0.40
GABRA5 P31644 5/20 0.40
GABRA1 P14867 3/20 0.40
GABRA3 P34903 3/20 0.40
GABRA2 P47869 3/20 0.40
HRH1 P35367 3/20 0.39
SETD7 Q8WTS6 2/20 0.38
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 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
SCHEMBL7138938 0.87 HRH1 (0.42) PTAFRGABRG2GABRB3GABRA5GABRA1
SCHEMBL7142948 0.83 HRH1 (0.55) PTAFRGABRG2GABRB3GABRA5HRH1
SCHEMBL7136207 0.82 SETD7 (0.59) PTAFRHRH1SETD7CHRM2HTR1A
SCHEMBL7140008 0.81 DRD2 (0.43) PTAFRHRH1SETD7CHRM2HTR1A
SCHEMBL7136275 0.78 GABRG2 (0.41) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7136262 0.78 PTAFR (0.43) PTAFRGABRG2GABRB3GABRA5HRH1
SCHEMBL7136431 0.76 DRD1 (0.46) PTAFRGABRG2GABRB3GABRA5HRH1
SCHEMBL8208865 0.75 HRH1 (0.52) HRH1SETD7CHRM2HTR1ACHRM1
SCHEMBL7140423 0.74 SETD7 (0.43) GABRG2GABRB3GABRA5HRH1SETD7
SCHEMBL8207791 0.72 DRD1 (0.39) HRH1SETD7CHRM2HTR1ACHRM1

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