SCHEMBL4751235

SCHEMBL4751235

O=C(O)N1CC2CC1CN2C1CCc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.43
TSHR P16473 1/20 0.41
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
OPRM1 P35372 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRL1 P41146 2/20 0.37
FAAH O00519 1/20 0.37
CYP11B2 P19099 1/20 0.36
OPRD1 P41143 1/20 0.36
NOTUM Q6P988 1/20 0.36
SRD5A1 P18405 1/20 0.36
PLAU P00749 1/20 0.36

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
SCHEMBL4695276 0.91 ALDH1A1 (0.38) GRIN2BTSHR
SCHEMBL4748618 0.85 DRD2 (0.36) FAAH
SCHEMBL3025448 0.79 ELOVL6 (0.43) TSHRMTNR1B
SCHEMBL3018503 0.76 OPRD1 (0.47) OPRK1OPRD1
SCHEMBL3018814 0.76 NAMPT (0.49)
SCHEMBL4694626 0.76 PSEN1 (0.33) MTNR1BFAAHNOTUM
SCHEMBL4695904 0.75 PDPK1 (0.36) OPRM1OPRK1OPRL1OPRD1NOTUM
SCHEMBL3022138 0.74 NPY5R (0.45) GRIN2BTSHROPRK1FAAH
SCHEMBL3007280 0.74 SMN1; SMN2 (0.43)
SCHEMBL6134967 0.74 HSD11B1 (0.40) TSHR

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-1910374-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS Vernalis (R&D) Limited (GB) 2008-04-16 EP disclosed
WO-2007007069-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS VERNALIS (R & D) LIMITED (GB) 2007-01-18 WO disclosed