SCHEMBL3948803

SCHEMBL3948803

OCCC[CH]C1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
TSHR P16473 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 1/20 0.30
PMP22 Q01453 1/20 0.30
GABRA6 Q16445 1/20 0.30
GABRG1 Q8N1C3 1/20 0.30
GABRG3 Q99928 1/20 0.30
GABRQ Q9UN88 1/20 0.30

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
SCHEMBL3955001 0.88 GABRA1 (0.31) GBA1GABRPGABRDGABRA1TSHR
SCHEMBL8320146 0.80 GNAO1 (0.40) TSHR
SCHEMBL9385178 0.78 GNAO1 (0.43)
SCHEMBL9384209 0.77 GNAO1 (0.46) TSHR
SCHEMBL9385199 0.77 GNAO1 (0.46) TSHR
SCHEMBL9388207 0.77 GNAO1 (0.46) TSHR
SCHEMBL9389327 0.77 GNAO1 (0.46) TSHR
SCHEMBL9383347 0.77 GNAO1 (0.46) TSHR
SCHEMBL9383352 0.77 GNAO1 (0.46) TSHR
SCHEMBL9388852 0.77 GNAO1 (0.46) TSHR

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
WO-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
CN-1202893-A Novel isoxazoline and isoxazole fibrinogen receptor antagonists DU PONT MERCK PHARMA (US) 1998-12-23 CN disclosed