SCHEMBL11601081

SCHEMBL11601081

COc1ccc2c(c1)C(=C1CCN(CCCC(C)=O)CC1)c1ccccc1CS2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 2/20 0.43
▸ FNTB P49356 2/20 0.43
▸ DRD3 P35462 5/20 0.43
▸ DRD2 P14416 3/20 0.43
▸ HRH1 P35367 2/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ HSD17B3 P37058 1/20 0.42
▸ PTAFR P25105 2/20 0.41
▸ RYR2 Q92736 2/20 0.38
▸ DRD1 P21728 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37

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 0.88 FNTA (0.45) FNTAFNTBDRD3DRD2HRH1
SCHEMBL11600654 0.88 FNTA (0.54) FNTAFNTBDRD3DRD2HRH1
SCHEMBL11602160 0.87 FNTA (0.44) FNTAFNTBDRD3DRD2HRH1
SCHEMBL11602913 0.83 ALDH1A1 (0.49) FNTAFNTBDRD3DRD2HRH1
SCHEMBL11599742 0.81 FNTA (0.56) FNTAFNTBDRD3DRD2HRH1
SCHEMBL11601639 0.81 PTAFR (0.50) FNTAFNTBDRD3DRD2HRH1
SCHEMBL7681833 0.80 FNTA (0.51) FNTAFNTBDRD3DRD2HRH1
Acetic Acid SCHEMBL7681832 0.80 FNTA (0.52) FNTAFNTBDRD3DRD2HRH1
SCHEMBL11602373 0.80 FNTA (0.44) FNTAFNTBDRD3DRD2HRH1
SCHEMBL11599673 0.79 PTAFR (0.60) FNTAFNTBDRD3DRD2HRH1

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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