SCHEMBL11459013

SCHEMBL11459013

Cc1ccc2c(c1)C(=C1CCN(C)CC1)c1cc(C=O)ccc1CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SETD7 Q8WTS6 5/20 0.48
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CHRM2 P08172 3/20 0.39
▸ HTR1A P08908 3/20 0.39
▸ ADRA2A P08913 3/20 0.39
▸ CHRM1 P11229 3/20 0.39
▸ DRD1 P21728 3/20 0.39
▸ SLC6A2 P23975 3/20 0.39
▸ SLC6A4 P31645 3/20 0.39
▸ ADRA1A P35348 3/20 0.39
▸ DRD3 P35462 3/20 0.39
▸ SLC6A3 Q01959 3/20 0.39
▸ KCNH2 Q12809 3/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ ADRA2B P18089 2/20 0.39

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
SCHEMBL11464514 0.90 SETD7 (0.50) SETD7ALDH1A1MEN1MAPTKMT2A
SCHEMBL11456520 0.86 SETD7 (0.68) SETD7ALDH1A1MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL11467021 0.85 SETD7 (0.66) SETD7ALDH1A1MEN1MAPTKMT2A
SCHEMBL9443979 0.76 SETD7 (0.69) SETD7ALDH1A1MEN1MAPTKMT2A
SCHEMBL9443978 0.76 SETD7 (0.69) SETD7ALDH1A1MEN1MAPTKMT2A
SCHEMBL11472216 0.76 SETD7 (0.48) SETD7ALDH1A1MEN1MAPTKMT2A
SCHEMBL11457687 0.75 SETD7 (0.49) SETD7ALDH1A1MEN1MAPTKMT2A
SCHEMBL3138851 0.71 SETD7 (0.52) SETD7ALDH1A1MEN1MAPTKMT2A
SCHEMBL12608359 0.71 ALDH1A1 (0.56) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL14087482 0.71 SETD7 (0.74) SETD7ALDH1A1MEN1MAPTKMT2A

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 disclosed
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