SCHEMBL28030487

SCHEMBL28030487

NCC1CCN(C(OC(=O)Cl)c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
CXCR4 P61073 1/20 0.39
ATM Q13315 1/20 0.37
HRH1 P35367 3/20 0.37
CCR3 P51677 3/20 0.37
KCNH2 Q12809 2/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
SLC6A2 P23975 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL28026010 0.85 ALDH1A1 (0.38) CHRM2CHRM1CHRM3ATMTDP1
SCHEMBL28299375 0.83 KCNA3 (0.43) CHRM3ATM
SCHEMBL28330830 0.83 SLC6A4 (0.38) CHRM3ATMHRH1CCR3KCNH2
SCHEMBL28832222 0.83 TDP1 (0.51) ATMTDP1
SCHEMBL28049321 0.82 ALDH1A1 (0.40) CHRM3ATMTDP1
SCHEMBL28073265 0.81 ALDH1A1 (0.37) CHRM2CHRM1CHRM3ATMHRH1
SCHEMBL27706054 0.81 CXCR4 (0.38) CHRM2CHRM1CHRM3CXCR4
SCHEMBL28049253 0.80 LMNA (0.47) CHRM1ATMKCNH2
SCHEMBL28086157 0.80 LMNA (0.51) ATMKCNH2
Hydrochloric Acid SCHEMBL28314858 0.79 LMNA (0.54) ATMKCNH2

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
CN-102947285-B Sulfonamide derivatives as BCL-2-selective apoptosis inducers for the treatment of cancer and immune diseases ABBVIE (US) 2015-08-26 CN disclosed