SCHEMBL4033546

SCHEMBL4033546

O=C(OCc1ccccc1)N1CCC(c2ccccc2)(c2nc3cc(CF)ccc3[nH]2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.49
OPRK1 P41145 4/20 0.49
GRIN2B Q13224 1/20 0.46
ENPP2 Q13822 4/20 0.46
ATXN2 Q99700 4/20 0.46
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
OPRM1 P35372 1/20 0.41
KDM1A O60341 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ACACB O00763 1/20 0.40
NOS2 P35228 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL2471729 0.88 GRIN2B (0.59) OPRD1OPRK1GRIN2BENPP2ATXN2
SCHEMBL2468686 0.79 KMT2A (0.52) OPRD1OPRK1OPRM1SMN1; SMN2CYP2C19
SCHEMBL2473564 0.73 EPHX2 (0.44) OPRD1OPRK1ENPP2ATXN2OPRM1
SCHEMBL2702761 0.71 GRIN2B (0.66) OPRD1OPRK1GRIN2BENPP2ATXN2
SCHEMBL19970834 0.70 GRIN2B (0.49) GRIN2BENPP2ATXN2HDAC3HDAC1
SCHEMBL2709670 0.70 GRIN2B (0.56) GRIN2BSMN1; SMN2CYP2C19MEN1KMT2A
SCHEMBL56293 0.70 OPRD1 (0.58) OPRD1OPRK1GRIN2BENPP2ATXN2
SCHEMBL2493036 0.69 GRIN2B (0.56) OPRD1OPRK1GRIN2BENPP2ATXN2
SCHEMBL934263 0.69 MEN1 (0.64) OPRD1OPRK1GRIN2BENPP2ATXN2
SCHEMBL2465403 0.69 OPRD1 (0.54) OPRD1OPRK1ENPP2ATXN2HDAC3

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-1501467-A4 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP disclosed
EP-1501467-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-02 EP disclosed
WO-2003088908-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-30 WO disclosed