SCHEMBL11602160

SCHEMBL11602160

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 4/20 0.44
▸ FNTB P49356 4/20 0.44
▸ HRH1 P35367 8/20 0.43
▸ DRD2 P14416 4/20 0.43
▸ DRD3 P35462 4/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ HSD17B3 P37058 2/20 0.42
▸ KCNH2 Q12809 2/20 0.41
▸ PTAFR P25105 1/20 0.40

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
SCHEMBL11600227 0.90 FNTA (0.45) FNTAFNTBHRH1DRD2DRD3
SCHEMBL11600654 0.89 FNTA (0.54) FNTAFNTBHRH1DRD2DRD3
SCHEMBL11601081 0.87 FNTA (0.43) FNTAFNTBHRH1DRD2DRD3
SCHEMBL11602383 0.87 FNTA (0.49) FNTAFNTBHRH1HSD17B3PTAFR
SCHEMBL11599742 0.83 FNTA (0.56) FNTAFNTBHRH1DRD2DRD3
SCHEMBL11600950 0.82 KCNH2 (0.46) FNTAFNTBHRH1DRD2DRD3
Acetic Acid SCHEMBL7681832 0.81 FNTA (0.52) FNTAFNTBHRH1DRD2DRD3
SCHEMBL11602373 0.81 FNTA (0.44) FNTAFNTBHRH1DRD2DRD3
SCHEMBL11599673 0.80 PTAFR (0.60) FNTAFNTBHRH1DRD2DRD3
SCHEMBL7676763 0.80 FNTA (0.55) FNTAFNTBHRH1DRD2DRD3

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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