SCHEMBL24869449

SCHEMBL24869449

CC(C)c1cc(Br)c(C(C)C)cc1F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.38
GABRB1 P18505 1/20 0.38
EIF4A3 P38919 1/20 0.36
GABRB2 P47870 1/20 0.31
ADRB2 P07550 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
PDE2A O00408 1/20 0.31
APLNR P35414 2/20 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
SCHEMBL13484 0.86 GABRA1 (0.38) GABRA1GABRB1EIF4A3GABRB2ADRB2
SCHEMBL12413927 0.86 GABRA1 (0.38) GABRA1GABRB1EIF4A3GABRB2ADRB2
SCHEMBL12173270 0.84 EIF4A3 (0.42) GABRA1GABRB1EIF4A3GABRB2ADRB2
SCHEMBL1335807 0.84 GABRA1 (0.48) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL25796892 0.83 GABRA1 (0.39) GABRA1GABRB1EIF4A3GABRB2CA1
SCHEMBL15706603 0.82 LMNA (0.38) GABRA1GABRB1EIF4A3
SCHEMBL20686231 0.80 GABRA1 (0.34) GABRA1GABRB1EIF4A3
SCHEMBL26832324 0.80 AHR (0.35) GABRA1GABRB1EIF4A3
SCHEMBL14629520 0.80 GABRA1 (0.43) GABRA1GABRB1EIF4A3GABRB2ADRB2
SCHEMBL9194771 0.79 GABRA1 (0.44) GABRA1GABRB1GABRB2CA1CA2

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-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO disclosed