SCHEMBL25702159

SCHEMBL25702159

CCN1CCC(C)N(C(C)=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HSD11B1 P28845 6/20 0.42
▸ EPHX1 P07099 2/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ CHRM2 P08172 4/20 0.34
▸ CHRM4 P08173 4/20 0.34
▸ CHRM5 P08912 4/20 0.34
▸ CHRM1 P11229 4/20 0.34
▸ CHRM3 P20309 4/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL17831928 0.83 SIGMAR1 (0.38) SMN1; SMN2HSD11B1MEN1TSHRHTT
SCHEMBL18346708 0.83 SIGMAR1 (0.38) SMN1; SMN2HSD11B1MEN1TSHRHTT
SCHEMBL21064697 0.83 SIGMAR1 (0.38) SMN1; SMN2HSD11B1MEN1TSHRHTT
SCHEMBL15893910 0.81 SMN1; SMN2 (0.43) SMN1; SMN2HSD11B1EPHX1EPHX2CHRM1
SCHEMBL15896433 0.80 HPGDS (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14436404 0.80 — —
SCHEMBL17464820 0.80 — —
SCHEMBL18478124 0.80 — —
SCHEMBL3436833 0.71 — —
SCHEMBL419842 0.71 — —

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-2023107606-A1 BCL-XL/BCL-2 DUAL DEGRADERS FOR TREATMENT OF CANCERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-06-15 — — WO disclosed
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