SCHEMBL31403104

SCHEMBL31403104

CC(C)(C)OC(=O)N1CCC2(CC1)CN(c1ncc(Br)cc1C#N)C2

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 14/20 0.49
▸ NR1H2 P55055 1/20 0.47
▸ NR1H3 Q13133 1/20 0.47
▸ GPR119 Q8TDV5 4/20 0.45
▸ ACACB O00763 1/20 0.42

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
SCHEMBL14687796 0.87 NR1H2 (0.58) RETNR1H2NR1H3GPR119
SCHEMBL31627240 0.84 RET (0.45) RETNR1H2NR1H3GPR119
SCHEMBL18838032 0.84 NR1H2 (0.55) RETNR1H2NR1H3GPR119
SCHEMBL31627376 0.82 RET (0.51) RETNR1H2NR1H3GPR119
SCHEMBL31403101 0.80 RET (0.45) RETNR1H2NR1H3GPR119
SCHEMBL22721094 0.80 ALDH1A1 (0.48) GPR119ACACB
SCHEMBL25270429 0.79 KIT (0.45) RETGPR119ACACB
SCHEMBL30713654 0.79 CNR2 (0.34) RET
SCHEMBL31402917 0.78 RET (0.47) RETGPR119
SCHEMBL31402999 0.77 RET (0.48) RETGPR119

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-2025021182-A1 CYP11A1 INHIBITORS ACERAND THERAPEUTICS (HONG KONG) LIMITED (CN) 2025-01-30 — — WO disclosed
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