SCHEMBL2633796

SCHEMBL2633796

Cc1nc([N+]2([C@H]3CCNC3)CCC[C@@H]2C)ccc1N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.43
USP30 Q70CQ3 1/20 0.35
BACE1 P56817 2/20 0.33
CTSD P07339 1/20 0.33
CTSE P14091 1/20 0.33
GPR119 Q8TDV5 3/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
CNR2 P34972 1/20 0.31
ACACB O00763 2/20 0.31
JAK1 P23458 1/20 0.31
EPHX2 P34913 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2633858 1.00 HRH3 (0.43) HRH3USP30BACE1CTSDCTSE
SCHEMBL2633791 0.97 HRH3 (0.41) HRH3USP30BACE1CTSDCTSE
SCHEMBL2633886 0.87 HRH3 (0.33) HRH3
SCHEMBL2633837 0.87 HRH3 (0.39) HRH3
SCHEMBL2633804 0.87 HRH3 (0.34) HRH3
Hydrochloric Acid SCHEMBL2637048 0.86 HRH3 (0.38) HRH3
SCHEMBL2470234 0.86 HRH3 (0.45) HRH3USP30BACE1CTSDCTSE
SCHEMBL2470175 0.86 HRH3 (0.45) HRH3USP30BACE1CTSDCTSE
SCHEMBL2473225 0.86 HRH3 (0.45) HRH3USP30BACE1CTSDCTSE
SCHEMBL2477096 0.86 HRH3 (0.45) HRH3USP30BACE1CTSDCTSE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569304-A1 SUBSTITUTED N-HETEROARYL SPIROLACTAM BIPYRROLIDINES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-20 EP disclosed
WO-2011143148-A1 SUBSTITUTED N-HETEROARYL SPIROLACTAM BIPYRROLIDINES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-17 WO disclosed