SCHEMBL10072040

SCHEMBL10072040

O=C(Cc1ccccc1)N1CCC2(CC1)CC2CNCCc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.52
GFER P55789 1/20 0.48
ATM Q13315 1/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
GPR183 P32249 1/20 0.46
HSD11B1 P28845 1/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
EPHX1 P07099 1/20 0.42
EPHX2 P34913 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL2467872 0.72 ALDH1A1 (0.49) GFERATMKMT2AMEN1GPR183
SCHEMBL2701335 0.71 ATM (0.59) GFERATMKMT2AMEN1GPR183
SCHEMBL18298031 0.69 NAMPT (0.48) NAMPTKMT2AMEN1HSD11B1
SCHEMBL13149275 0.69 ALDH1A1 (0.77) GFERATMKMT2AMEN1GPR183
SCHEMBL17389537 0.68 NAMPT (1.00) NAMPT
SCHEMBL1709237 0.68 SCN9A (0.58) NAMPT
SCHEMBL10071959 0.67 CCR3 (0.51) ATMKMT2AMEN1
SCHEMBL2471161 0.67 ALDH1A1 (0.55) KMT2AMEN1EPHX1EPHX2MAPT
SCHEMBL11076871 0.66 GFER (0.89) NAMPTGFERATMKMT2AMEN1
SCHEMBL7430480 0.66 HPGD (0.67) GFERATMKMT2AMEN1GPR183

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-2012047703-A2 CYCLOPROPYL-SPIRO-PIPERIDINES USEFUL AS SODIUM CHANNEL BLOCKERS SCHERING CORPORATION (US) 2012-04-12 WO disclosed