SCHEMBL12284752

SCHEMBL12284752

CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3cc(Br)cnc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
GABRA1 P14867 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRG2 P18507 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52
GABRA2 P47869 1/20 0.52
GABRB2 P47870 1/20 0.52
GABRA4 P48169 1/20 0.52
GABRE P78334 1/20 0.52
GABRA6 Q16445 1/20 0.52
GABRG1 Q8N1C3 1/20 0.52
GABRG3 Q99928 1/20 0.52
GABRQ Q9UN88 1/20 0.52
JAK1 P23458 1/20 0.47
PDK4 Q16654 1/20 0.46
CNR1 P21554 1/20 0.43
CDK9 P50750 3/20 0.43

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
SCHEMBL26912793 0.88 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12285937 0.84 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19972559 0.84 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30861911 0.84 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16610316 0.82 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2262710 0.82 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6381977 0.82 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21285545 0.81 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29480777 0.81 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22820579 0.81 BTK (0.51) GABRPGABRDGABRA1GABRB1GABRG2

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
WO-2011128455-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE S.A. (CH) 2011-10-20 WO disclosed