SCHEMBL15048529

SCHEMBL15048529

CCCN1CC(c2ccc(NS(=O)(=O)c3ccc(-c4cocn4)cc3)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
TP53 P04637 3/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
UCHL1 P09936 1/20 0.40
MLNR O43193 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
THRB P10828 1/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL4206169 0.85 HRH3 (0.40) MAPTTP53LMNAALDH1A1ATM
SCHEMBL1546199 0.80 KMT2A (0.58) MAPTTP53LMNAALDH1A1ATM
SCHEMBL4201243 0.79 HRH3 (0.41) MAPTTP53LMNAALDH1A1ATM
SCHEMBL4201240 0.79 HRH3 (0.41) MAPTTP53LMNAALDH1A1ATM
SCHEMBL1546795 0.78 SMN1; SMN2 (0.49) MAPTTP53LMNAALDH1A1ATM
SCHEMBL1546424 0.76 DRD2 (0.56) MAPTTP53LMNAALDH1A1ATM
SCHEMBL1546298 0.75 ALDH1A1 (0.45) MAPTTP53LMNAALDH1A1ATM
SCHEMBL1546294 0.75 ALDH1A1 (0.56) MAPTTP53LMNAALDH1A1ATM
SCHEMBL1546292 0.75 ALDH1A1 (0.56) MAPTTP53LMNAALDH1A1ATM
SCHEMBL1546299 0.74 SMN1; SMN2 (0.53) MAPTTP53LMNAALDH1A1ATM

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
US-8470810-B2 Heterocyclic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2013-06-25 US claimed