SCHEMBL7718945

SCHEMBL7718945

CC(C)(C)OC(=O)NCCNC1CCN(c2ccccc2OCC(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.53
ADRA1D P25100 3/20 0.43
ADRA1A P35348 3/20 0.43
ADRA1B P35368 3/20 0.43
SSTR4 P31391 4/20 0.43
SSTR1 P30872 3/20 0.43
SCN9A Q15858 1/20 0.42
CKS1B P61024 2/20 0.40
SKP1 P63208 2/20 0.40
SKP2 Q13309 2/20 0.40
PRMT5 O14744 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
SCHEMBL7716782 0.86 DRD2 (0.69) DRD2ADRA1A
SCHEMBL7716756 0.82 DRD2 (0.51) DRD2CKS1BSKP1SKP2
SCHEMBL7714964 0.81 ADRA1A (0.44) DRD2ADRA1DADRA1AADRA1BSSTR4
SCHEMBL7714962 0.80 ADRA1A (0.47) DRD2ADRA1DADRA1AADRA1BSSTR4
SCHEMBL7711060 0.79 DRD2 (0.51) DRD2CKS1BSKP1SKP2
SCHEMBL7711219 0.79 DRD2 (0.48) DRD2CKS1BSKP1SKP2
SCHEMBL7711275 0.78 NPY1R (0.54) DRD2
SCHEMBL8221705 0.76 CKS1B (0.48) DRD2ADRA1DADRA1AADRA1BCKS1B
SCHEMBL7711061 0.74 CHRM4 (0.48)
SCHEMBL7714679 0.74 CHRM4 (0.49) DRD2

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
US-6376503-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC 2002-04-23 US disclosed