SCHEMBL3947564

SCHEMBL3947564

O=C(CCO)C1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.52
GABRA1 P14867 3/20 0.52
GABRB2 P47870 3/20 0.52
TSHR P16473 2/20 0.52
GABRG2 P18507 2/20 0.52
GABRB3 P28472 2/20 0.52
GABRA3 P34903 2/20 0.52
GABRA2 P47869 2/20 0.52
GABRA6 Q16445 2/20 0.52
GABRA4 P48169 2/20 0.52
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRE P78334 1/20 0.52
PMP22 Q01453 1/20 0.52
GABRG1 Q8N1C3 1/20 0.52
GABRG3 Q99928 1/20 0.52
GABRQ Q9UN88 1/20 0.52
NOS2 P35228 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4630580 0.83 GABRA5 (0.54) GABRA5GABRA1GABRB2TSHRGABRG2
SCHEMBL3949885 0.82 GABRP (0.48) GABRA5GABRA1GABRB2TSHRGABRG2
SCHEMBL31297407 0.82 GABRA5 (0.48) GABRA5GABRA1GABRB2TSHRGABRG2
Hydrochloric Acid SCHEMBL6044490 0.80 GABRP (0.46) GABRA5GABRA1GABRB2TSHRGABRG2
SCHEMBL27362445 0.80 GABRP (0.46) GABRA5GABRA1GABRB2TSHRGABRG2
Hydrochloric Acid SCHEMBL20508301 0.80 GNAI3 (0.49) GABRA5GABRA1GABRB2TSHRGABRG2
SCHEMBL31275025 0.79 GABRP (0.45) GABRA5GABRA1GABRB2TSHRGABRG2
SCHEMBL27739881 0.79 GABRA5 (0.45) GABRA5GABRA1GABRB2TSHRGABRG2
SCHEMBL11883641 0.77 GNAI3 (0.54) GABRA5GABRA1GABRB2TSHRGABRG2
SCHEMBL27921007 0.77 TSHR (0.43) GABRA5GABRA1GABRB2TSHRGABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
CN-1230186-A Pyrazolopyridine compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO (JP) 1999-09-29 CN disclosed