SCHEMBL7103245

SCHEMBL7103245

COC(C(=O)O)C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 3/20 0.47
CPB2 Q96IY4 3/20 0.47
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
TSHR P16473 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
PMP22 Q01453 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40
GABRQ Q9UN88 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
SCHEMBL16785311 0.85
SCHEMBL17520183 0.82 SLC6A3 (0.44) CPN1CPB2GABRPGABRDGABRA1
SCHEMBL26940470 0.81 EPHX1 (0.37) MMP1MMP2MMP3MMP7MMP13
SCHEMBL9029529 0.81 EPHX1 (0.37) MMP1MMP2MMP3MMP7MMP13
SCHEMBL27388979 0.79 CPN1 (0.47) CPN1CPB2GABRPGABRDGABRA1
SCHEMBL24328846 0.79 EPHX1 (0.40) MMP1MMP2MMP3MMP7MMP13
SCHEMBL1050730 0.79 EPHX1 (0.40) MMP1MMP2MMP3MMP7MMP13
SCHEMBL1050728 0.79 EPHX1 (0.40) MMP1MMP2MMP3MMP7MMP13
SCHEMBL8770267 0.78 SLC6A2 (0.46) CPN1CPB2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL7752468 0.78 CPN1 (0.46) CPN1CPB2GABRPGABRDGABRA1

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
EP-1224186-B1 PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION MILLENNIUM PHARM INC (US) 2003-09-24 EP disclosed