Sugi Predict

Sugi Predict / Compounds / SCHEMBL23749845

SCHEMBL23749845

SCHEMBL23749845

CC(C)c1cnc(Br)cc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 3/20 0.39
▸ GABRB1 P18505 3/20 0.39
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ P2RX3 P56373 2/20 0.31
▸ P2RX2 Q9UBL9 2/20 0.31
▸ GABRB2 P47870 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
SCHEMBL25613928 0.86 GABRA1 (0.37) GABRA1GABRB1CA1CA2P2RX3
SCHEMBL25927987 0.84 GABRA1 (0.35) GABRA1GABRB1
SCHEMBL27929486 0.82 GABRA1 (0.34) GABRA1GABRB1P2RX3P2RX2
SCHEMBL15614474 0.81 GABRA1 (0.37) GABRA1GABRB1CA1CA2P2RX3
SCHEMBL22448616 0.79 POLB (0.36) GABRA1GABRB1P2RX3P2RX2
SCHEMBL22448601 0.79 GABRA1 (0.45) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL12356926 0.79 P2RX3 (0.48) P2RX3P2RX2
SCHEMBL25928014 0.76 GLP1R (0.39) GABRA1GABRB1
SCHEMBL22448705 0.76 POLB (0.46) P2RX3P2RX2
SCHEMBL12848758 0.72 UHRF1 (0.41) GABRA1GABRB1CA1CA2GABRB2

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-2023016546-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. (US) 2023-02-16 — — WO disclosed
WO-2021155841-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. (US) 2021-08-12 — — WO disclosed