SCHEMBL5069460

SCHEMBL5069460

COC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.68
L3MBTL1 Q9Y468 3/20 0.64
HPGD P15428 2/20 0.64
TP53 P04637 2/20 0.63
ATM Q13315 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
GFER P55789 1/20 0.57
LMNA P02545 1/20 0.57
CYP2D6 P10635 1/20 0.56
SMAD3 P84022 1/20 0.56

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
SCHEMBL2183180 1.00 POLB (0.68) POLBL3MBTL1HPGDTP53ATM
SCHEMBL5781007 1.00 POLB (0.68) POLBL3MBTL1HPGDTP53ATM
SCHEMBL5970008 0.86 ALDH1A1 (0.62) L3MBTL1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL2584810 0.86 ALDH1A1 (0.62) L3MBTL1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL14662009 0.85 SMN1; SMN2 (0.65) POLBL3MBTL1HPGDTP53ATM
SCHEMBL843091 0.85 SMN1; SMN2 (0.77) POLBL3MBTL1HPGDTP53ATM
SCHEMBL1263215 0.85 SMN1; SMN2 (0.77) POLBL3MBTL1HPGDTP53ATM
SCHEMBL5390794 0.85 SMN1; SMN2 (0.77) POLBL3MBTL1HPGDTP53ATM
SCHEMBL6646180 0.84 POLB (0.74) POLBL3MBTL1HPGDTP53SMN1; SMN2
SCHEMBL14990930 0.83 BRD4 (0.69) POLBL3MBTL1HPGDSMN1; SMN2KMT2A

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-1987034-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmceuticals Incorporated (US) 2008-11-05 EP disclosed
WO-2007100670-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-07 WO disclosed