SCHEMBL9723829

SCHEMBL9723829

C=CCCC(=O)C1CCCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
PMP22 Q01453 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
SLC6A1 P30531 2/20 0.38
SLC6A11 P48066 1/20 0.38

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
SCHEMBL27921007 0.93 TSHR (0.43) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL9723744 0.90 TSHR (0.36) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL9723850 0.89 MAPT (0.40) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL9723729 0.88 MAPT (0.42) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL9723831 0.88 MAPT (0.42) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL9723801 0.88 MAPT (0.42) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL9723727 0.88 MAPT (0.42) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL9723878 0.88 MAPT (0.42) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL9723775 0.88 MAPT (0.42) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL9723819 0.88 MAPT (0.42) TSHRGABRPGABRDGABRA1GABRB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0368933-B1 COMPOSITIONS COMPRISING 1-OXO- OR THIOHYDROCARBYL SUBSTITUTED AZACYCLOALKANES Whitby Research Incorporated (US) 1992-10-14 EP disclosed
EP-0368933-A1 COMPOSITIONS COMPRISING 1-OXO- OR THIOHYDROCARBYL SUBSTITUTED AZACYCLOALKANES Whitby Research Incorporated (US) 1990-05-23 EP disclosed