SCHEMBL2586822

SCHEMBL2586822

NC1C(=O)c2ccccc2OC12CCN(C(=O)O)CC2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.40
CYP2C9 P11712 1/20 0.40
PTPN11 Q06124 4/20 0.39
EPHX1 P07099 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
SCN5A Q14524 1/20 0.38
ATM Q13315 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL2590439 0.83 GPR119 (0.42) ATM
SCHEMBL2586785 0.83 SMN1; SMN2 (0.48)
SCHEMBL2595591 0.82 EPHX2 (0.39) EPHX2CYP2C9PTPN11EPHX1SIGMAR1
SCHEMBL14972719 0.81 EPHX2 (0.38) EPHX2CYP2C9EPHX1SIGMAR1SCN5A
SCHEMBL14972718 0.81 EPHX2 (0.38) EPHX2CYP2C9EPHX1SIGMAR1SCN5A
SCHEMBL2590155 0.76 KMT2A (0.35) EPHX2CYP2C9SIGMAR1ATMHRH3
SCHEMBL21383845 0.74 HDAC3 (0.48) EPHX2CYP2C9SIGMAR1
SCHEMBL3222598 0.73 SIGMAR1 (0.66) EPHX2CYP2C9EPHX1SIGMAR1SCN5A
SCHEMBL2588053 0.73 SIGMAR1 (0.66) EPHX2CYP2C9EPHX1SIGMAR1SCN5A
SCHEMBL12542376 0.71 LMNA (0.36) EPHX2PTPN11EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595989-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2013-05-29 EP disclosed
WO-2013067248-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-10 WO disclosed
WO-2011140425-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-10 WO disclosed