SCHEMBL7964848

SCHEMBL7964848

CC(C)(C)OC(=O)NC1CCN(C2CCC(c3cccc[n+]3[O-])CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 10/20 0.44
KCNA3 P22001 1/20 0.42
CTSK P43235 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OGFRL1 Q5TC84 1/20 0.42
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
DRD2 P14416 1/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
PDE10A Q9Y233 1/20 0.39

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
SCHEMBL7964853 1.00 DRD4 (0.44) DRD4KCNA3CTSKOPRM1OPRD1
SCHEMBL1808105 0.79 CTSK (0.61) KCNA3CTSKOPRM1OPRD1OPRK1
SCHEMBL1699916 0.79 CTSK (0.61) KCNA3CTSKOPRM1OPRD1OPRK1
SCHEMBL1699915 0.79 CTSK (0.61) KCNA3CTSKOPRM1OPRD1OPRK1
SCHEMBL7956176 0.77 CTSK (0.50) KCNA3CTSKOPRM1OPRD1OPRK1
SCHEMBL6959302 0.77 CTSK (0.50) KCNA3CTSKOPRM1OPRD1OPRK1
SCHEMBL6959306 0.77 CTSK (0.50) KCNA3CTSKOPRM1OPRD1OPRK1
SCHEMBL803320 0.77 CTSK (0.58) CTSKOPRM1OPRD1OPRK1OGFRL1
SCHEMBL3440554 0.75 CTSK (0.56) CTSKOPRM1OPRD1OPRK1OGFRL1
SCHEMBL3104685 0.74 CTSK (0.58) CTSKOPRM1OPRD1OPRK1OGFRL1

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
US-6255315-B1 BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-07-03 US disclosed
US-6037354-A ADMINISTERING PHENYL-SUBSTITUTED THIAZOLIDIN-4-ONE OR OXAZOLIDIN-2-ONE DERIVATIVE TO TREAT BENIGN PROSTATE HYPERPLASIA; SIDE EFFECT REDUCTION MERCK & CO., INC. (US) 2000-03-14 US disclosed