SCHEMBL11600227

SCHEMBL11600227

CC(=O)CCCN1CCC(=C2c3ccccc3CSc3ccc(C)cc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 1/20 0.45
▸ FNTB P49356 1/20 0.45
▸ PTAFR P25105 3/20 0.41
▸ DRD3 P35462 5/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ HSD17B3 P37058 1/20 0.39
▸ SETD7 Q8WTS6 3/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ KCNH2 Q12809 3/20 0.36
▸ CHRM2 P08172 3/20 0.36
▸ ADRA2A P08913 3/20 0.36
▸ CHRM1 P11229 3/20 0.36
▸ DRD1 P21728 3/20 0.36
▸ HRH1 P35367 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CHRM4 P08173 2/20 0.36
▸ CHRM5 P08912 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ ADRA2B P18089 2/20 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
SCHEMBL11600654 0.90 FNTA (0.54) FNTAFNTBPTAFRDRD3DRD2
SCHEMBL11602160 0.90 FNTA (0.44) FNTAFNTBPTAFRDRD3DRD2
SCHEMBL11601081 0.88 FNTA (0.43) FNTAFNTBPTAFRDRD3DRD2
SCHEMBL11599742 0.84 FNTA (0.56) FNTAFNTBPTAFRDRD3DRD2
Acetic Acid SCHEMBL7681832 0.82 FNTA (0.52) FNTAFNTBPTAFRDRD3DRD2
SCHEMBL11602373 0.82 FNTA (0.44) FNTAFNTBPTAFRDRD3DRD2
SCHEMBL11601198 0.82 KCNH2 (0.49) PTAFRDRD3DRD2SETD7KCNH2
SCHEMBL11599673 0.81 PTAFR (0.60) FNTAFNTBPTAFRDRD3DRD2
SCHEMBL7676763 0.81 FNTA (0.55) FNTAFNTBPTAFRDRD3DRD2
SCHEMBL7681833 0.80 FNTA (0.51) FNTAFNTBPTAFRDRD3DRD2

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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