SCHEMBL11601694

SCHEMBL11601694

CC(=O)CCN1CCC(=C2c3ccccc3CCc3cc(Cl)ccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 4/20 0.52
▸ HRH1 P35367 14/20 0.52
▸ SLC6A15 Q9H2J7 5/20 0.52
▸ FNTA P49354 2/20 0.52
▸ FNTB P49356 2/20 0.52
▸ SETD7 Q8WTS6 1/20 0.49
▸ KCNH2 Q12809 1/20 0.48

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 0.89 PTAFR (0.63) PTAFRHRH1FNTAFNTBSETD7
SCHEMBL11602383 0.86 FNTA (0.49) PTAFRHRH1SLC6A15FNTAFNTB
SCHEMBL11602054 0.83 SETD7 (0.50) PTAFRHRH1SLC6A15FNTAFNTB
SCHEMBL11600653 0.82 PTAFR (0.52) PTAFRHRH1FNTAFNTBSETD7
SCHEMBL11599673 0.82 PTAFR (0.60) PTAFRHRH1FNTAFNTBSETD7
SCHEMBL11599600 0.81 SETD7 (0.52) PTAFRHRH1FNTAFNTBSETD7
SCHEMBL11600718 0.81 SETD7 (0.50) PTAFRHRH1SETD7KCNH2
SCHEMBL11602883 0.81 PTAFR (0.50) PTAFRHRH1FNTAFNTBSETD7
SCHEMBL11601639 0.81 PTAFR (0.50) PTAFRHRH1FNTAFNTBSETD7
SCHEMBL11602839 0.81 PTAFR (0.50) PTAFRHRH1FNTAFNTBSETD7

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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