SCHEMBL25627722

SCHEMBL25627722

COc1cc(CNC(=O)N[C@@H]2C[C@H]3CCC32)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR3 P25089 1/20 0.42
▸ FPR2 P25090 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CDK2 P24941 4/20 0.39
▸ GSK3B P49841 4/20 0.39
▸ LOX P28300 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ EPHX2 P34913 2/20 0.38
▸ CCNE1 P24864 3/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SLC8A1 P32418 1/20 0.37
▸ PDE5A O76074 1/20 0.37

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
SCHEMBL25638888 1.00 FPR3 (0.42) FPR3FPR2SMN1; SMN2RAB9ANPC1
SCHEMBL25633647 1.00 FPR3 (0.42) FPR3FPR2SMN1; SMN2RAB9ANPC1
SCHEMBL30399847 0.87 EPHX2 (0.45) FPR3FPR2SMN1; SMN2RAB9ATRPV1
SCHEMBL25615095 0.87 EPHX2 (0.45) FPR3FPR2SMN1; SMN2RAB9ATRPV1
SCHEMBL25638890 0.87 EPHX2 (0.45) FPR3FPR2SMN1; SMN2RAB9ATRPV1
SCHEMBL25638931 0.81 EPHX1 (0.42) SMN1; SMN2EPHX1MAPTCDK2GSK3B
SCHEMBL25638932 0.81 EPHX1 (0.42) SMN1; SMN2EPHX1MAPTCDK2GSK3B
SCHEMBL25618724 0.81 EPHX1 (0.40) SMN1; SMN2RAB9ANPC1TRPV1EPHX1
SCHEMBL25882159 0.81 FPR3 (0.41) FPR3FPR2SMN1; SMN2RAB9ANPC1
SCHEMBL25638926 0.80 EPHX1 (0.41) SMN1; SMN2RAB9ANPC1EPHX1MAPT

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-2023091554-A1 NOVEL HETEROARYL-UREA COMPOUNDS AS KV7.2 INHIBITORS ICAGEN, LLC (US) 2023-05-25 — — WO disclosed
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