SCHEMBL11456520

SCHEMBL11456520

CN1CCC(=C2c3ccccc3CCc3ccc(C=O)cc32)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SETD7 Q8WTS6 5/20 0.68
▸ CHRM2 P08172 6/20 0.54
▸ CHRM1 P11229 6/20 0.54
▸ ADRA1A P35348 5/20 0.54
▸ KCNH2 Q12809 5/20 0.54
▸ HTR2A P28223 5/20 0.54
▸ HTR2C P28335 5/20 0.54
▸ HRH1 P35367 5/20 0.54
▸ ADRA2A P08913 5/20 0.54
▸ DRD1 P21728 5/20 0.54
▸ DRD3 P35462 5/20 0.54
▸ HTR1A P08908 4/20 0.54
▸ HTR2B P41595 4/20 0.54
▸ DRD2 P14416 4/20 0.54
▸ ADRA2B P18089 4/20 0.54
▸ LMNA P02545 4/20 0.54
▸ OPRK1 P41145 3/20 0.54
▸ SLC6A2 P23975 3/20 0.54
▸ SLC6A4 P31645 3/20 0.54
▸ SLC6A3 Q01959 3/20 0.54

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
Hydrochloric Acid SCHEMBL11467021 0.99 SETD7 (0.66) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL11459013 0.86 SETD7 (0.48) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL9443978 0.84 SETD7 (0.69) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL9443979 0.84 SETD7 (0.69) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL3138851 0.84 SETD7 (0.52) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL7817056 0.82 SETD7 (1.00) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL11521925 0.79 SETD7 (0.73) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL11487349 0.77 SETD7 (0.66) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL29628060 0.77 SETD7 (0.66) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL11464514 0.76 SETD7 (0.50) SETD7CHRM2CHRM1ADRA1AKCNH2

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-0016349-A1 3-Formylcyproheptadine and analogs, process for their preparation and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1980-10-01 — — EP claimed
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