SCHEMBL24521501

SCHEMBL24521501

C=C(CC)N1CCC(CN2CCN(CC)C2)CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.32
▸ HSD11B1 P28845 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ THRB P10828 5/20 0.32
▸ GAA P10253 1/20 0.32
▸ CACNA2D1 P54289 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ CACNB1 Q02641 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32

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
SCHEMBL21085341 0.75 CHRM5 (0.52) HSD11B1SMN1; SMN2
SCHEMBL23177636 0.75 EPHX2 (0.34) SMN1; SMN2GAA
SCHEMBL20937305 0.69 KCNH2 (0.33) —
SCHEMBL19429648 0.69 PHGDH (0.48) MAPTSMN1; SMN2GAA
SCHEMBL22520700 0.68 ACHE (0.50) HSD11B1SMN1; SMN2
SCHEMBL26480974 0.68 ACHE (0.50) HSD11B1SMN1; SMN2
SCHEMBL20109371 0.68 DPP8 (0.38) GAA
SCHEMBL4469088 0.68 HSD11B1 (0.45) MAPTHSD11B1SMN1; SMN2THRBGAA
SCHEMBL19157747 0.68 AKR1C3 (0.30) —
SCHEMBL18389996 0.68 HSD11B1 (0.45) MAPTHSD11B1SMN1; SMN2THRBGAA

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
EP-3596072-B1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2022-06-22 — — EP disclosed
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