SCHEMBL26604483

SCHEMBL26604483

CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(C(F)(F)c1cccc(CCN)c1F)C2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ GPR119 Q8TDV5 8/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ HSD11B1 P28845 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ KCNK3 O14649 4/20 0.34
▸ KCNK9 Q9NPC2 4/20 0.34
▸ PREP P48147 1/20 0.33

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
SCHEMBL26611134 0.83 CHRM2 (0.46) CHRM2CHRM1CHRM3GPR119HSD11B1
SCHEMBL30662884 0.83 CHRM2 (0.46) CHRM2CHRM1CHRM3GPR119HSD11B1
SCHEMBL26604392 0.82 CHRM2 (0.45) CHRM2CHRM1CHRM3GPR119HSD11B1
SCHEMBL30662893 0.82 CHRM2 (0.45) CHRM2CHRM1CHRM3GPR119HSD11B1
SCHEMBL26610918 0.81 CHRM2 (0.43) CHRM2CHRM1CHRM3GPR119DPP4
SCHEMBL30662889 0.81 CHRM2 (0.43) CHRM2CHRM1CHRM3GPR119DPP4
SCHEMBL26610917 0.81 CHRM2 (0.43) CHRM2CHRM1CHRM3GPR119DPP4
SCHEMBL30662888 0.75 CHRM2 (0.38) CHRM2CHRM1CHRM3GPR119HSD11B1
SCHEMBL26604342 0.75 CHRM2 (0.38) CHRM2CHRM1CHRM3GPR119HSD11B1
SCHEMBL26611154 0.73 CHRM2 (0.37) CHRM2CHRM1CHRM3GPR119HSD11B1

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-2023205701-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-10-26 — — WO disclosed
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