SCHEMBL14972719

SCHEMBL14972719

O=C1c2ccccc2OC2(CCN(C(=O)O)CC2)C1CCO

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.38
CYP2C9 P11712 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
EPHX1 P07099 2/20 0.35
SCN5A Q14524 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL2592704 0.85 GPR119 (0.41) ATM
SCHEMBL2586822 0.81 EPHX2 (0.40) EPHX2CYP2C9SIGMAR1EPHX1SCN5A
SCHEMBL2595591 0.79 EPHX2 (0.39) EPHX2CYP2C9SIGMAR1EPHX1SCN5A
SCHEMBL14972718 0.77 EPHX2 (0.38) EPHX2CYP2C9SIGMAR1EPHX1SCN5A
SCHEMBL2590155 0.75 KMT2A (0.35) EPHX2CYP2C9SIGMAR1HRH3ATM
SCHEMBL21383845 0.71 HDAC3 (0.48) EPHX2CYP2C9SIGMAR1
SCHEMBL3222598 0.70 SIGMAR1 (0.66) EPHX2CYP2C9SIGMAR1EPHX1SCN5A
SCHEMBL2588053 0.70 SIGMAR1 (0.66) EPHX2CYP2C9SIGMAR1EPHX1SCN5A
SCHEMBL2586785 0.68 SMN1; SMN2 (0.48)
SCHEMBL12542376 0.68 LMNA (0.36) EPHX2EPHX1TRPM8

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
EP-2595989-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2013-05-29 EP disclosed