SCHEMBL30877449

SCHEMBL30877449

CC(C)(C)OC(=O)N1C2CC1CN(c1ncc(Br)cn1)C2

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 11/20 0.53
▸ CHRM2 P08172 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ RET P07949 2/20 0.42
▸ HDAC1 Q13547 1/20 0.40
▸ ACACB O00763 3/20 0.40
▸ KCNK3 O14649 1/20 0.38
▸ KCNK9 Q9NPC2 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38

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
SCHEMBL31271389 0.92 GPR119 (0.59) GPR119CHRM2CHRM1CHRM3RET
SCHEMBL24467795 0.86 GPR119 (0.55) GPR119CHRM2CHRM1CHRM3RET
SCHEMBL24467778 0.86 GPR119 (0.47) GPR119ACACB
SCHEMBL25309274 0.85 GPR119 (0.52) GPR119CHRM2CHRM1CHRM3RET
SCHEMBL29567107 0.84 RET (0.52) GPR119CHRM2CHRM1CHRM3RET
SCHEMBL21909144 0.84 RET (0.52) GPR119CHRM2CHRM1CHRM3RET
SCHEMBL24240917 0.84 RET (0.52) GPR119CHRM2CHRM1CHRM3RET
SCHEMBL22720768 0.81 GPR119 (0.50) GPR119ACACBKCNK3KCNK9
SCHEMBL22660531 0.80 GPR119 (0.45) GPR119CHRM2CHRM1CHRM3RET
SCHEMBL22516882 0.80 RET (0.47) GPR119CHRM2CHRM1CHRM3RET

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
CN-117964643-B Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-07-02 — — CN disclosed
CN-117964643-A Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-05-03 — — CN disclosed
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