SCHEMBL7832087

SCHEMBL7832087

CC(C)(C)OC(=O)c1cccc2[nH]nc(Cl)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37
GABRQ Q9UN88 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
SCHEMBL3349305 0.83 AR (0.40) ARALDH1A1LMNAGABRPGABRD
SCHEMBL25337284 0.83 GAA (0.45) ARGAAABL1BCR
SCHEMBL3918274 0.76 NR4A2 (0.56) ARGABRPGABRDGABRA1GABRB1
SCHEMBL7365516 0.75 FADS1 (0.47) POLBALDH1A1GAAKDM4E
SCHEMBL7372800 0.75 NR3C2 (0.35) ALDH1A1LMNAGABRA1GABRG2GABRB3
SCHEMBL29441480 0.72 AR (0.43) ARALDH1A1LMNAGABRPGABRD
SCHEMBL30522258 0.71 GABRA1 (0.53) ARALDH1A1GABRPGABRDGABRA1
SCHEMBL2418352 0.71 GABRP (0.39) ARALDH1A1LMNAGABRPGABRD
SCHEMBL3995062 0.70 NR4A2 (0.72) NR4A2
SCHEMBL29550920 0.70 POLB (0.60) POLBALDH1A1LMNAATRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089993-A1 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2001-04-11 EP disclosed
WO-2000000487-A1 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2000-01-06 WO disclosed
WO-1996035422-A1 METHODS FOR INHIBITING BONE LOSS ELI LILLY AND COMPANY (US) 1996-11-14 WO disclosed