SCHEMBL11601639

SCHEMBL11601639

COc1ccc2c(c1)C(=C1CCN(CCC(C)=O)CC1)c1ccccc1CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 3/20 0.50
▸ SETD7 Q8WTS6 1/20 0.47
▸ FNTA P49354 2/20 0.46
▸ FNTB P49356 2/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ DRD2 P14416 5/20 0.42
▸ DRD3 P35462 5/20 0.42
▸ DRD1 P21728 5/20 0.42
▸ DRD5 P21918 4/20 0.42
▸ DRD4 P21917 2/20 0.42
▸ SIGMAR1 Q99720 3/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ HTR2B P41595 1/20 0.41

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
SCHEMBL11600894 0.88 PTAFR (0.63) PTAFRSETD7FNTAFNTBMEN1
SCHEMBL11600653 0.85 PTAFR (0.52) PTAFRSETD7FNTAFNTBMEN1
SCHEMBL11600176 0.83 SETD7 (0.48) PTAFRSETD7FNTAFNTBMEN1
SCHEMBL11602839 0.83 PTAFR (0.50) PTAFRSETD7FNTAFNTBMEN1
SCHEMBL11602883 0.83 PTAFR (0.50) PTAFRSETD7FNTAFNTBMEN1
SCHEMBL11602913 0.81 ALDH1A1 (0.49) PTAFRFNTAFNTBMAPTKMT2A
SCHEMBL11601660 0.81 SETD7 (0.48) PTAFRSETD7FNTAFNTBMAPK1
SCHEMBL11601081 0.81 FNTA (0.43) PTAFRFNTAFNTBDRD2DRD3
SCHEMBL11601694 0.81 PTAFR (0.52) PTAFRSETD7FNTAFNTBHRH1
SCHEMBL11599673 0.81 PTAFR (0.60) PTAFRSETD7FNTAFNTBMEN1

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
US-4072756-A Tricyclo piperidino ketones and soporific compositions thereof SANDOZ LTD. (CH) 1978-02-07 — — US disclosed
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