SCHEMBL8963837

SCHEMBL8963837

CCCC(c1nc(-c2ccc(C)cc2)[nH]c1C)(C(c1ccccc1)c1ccccc1)N1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 4/20 0.35
KHK P50053 1/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
HTR3A P46098 1/20 0.32
SLC6A4 P31645 3/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
NPY5R Q15761 2/20 0.31
DGAT1 O75907 1/20 0.31
SLC6A2 P23975 2/20 0.31

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
Hydrochloric Acid SCHEMBL8963841 0.94 DRD2 (0.35) PRMT5KHKSLC6A4DRD2DRD4
SCHEMBL8963897 0.93 PRMT5 (0.36) PRMT5KHKTNKSPARP1TNKS2
Hydrochloric Acid SCHEMBL8963752 0.87 DRD2 (0.35) PRMT5KHKSLC6A4DRD2DRD4
SCHEMBL8963987 0.83 PRMT5 (0.35) PRMT5KHKTNKSPARP1TNKS2
Hydrochloric Acid SCHEMBL8963445 0.82 PRMT5 (0.34) PRMT5KHKTNKSPARP1TNKS2
SCHEMBL8963731 0.78 PRMT5 (0.34) PRMT5KHKTNKSPARP1TNKS2
Hydrochloric Acid SCHEMBL8964022 0.78 NPY5R (0.37) PRMT5TNKSPARP1TNKS2HTR3A
SCHEMBL8963765 0.78 OPRD1 (0.35) PRMT5KHKTNKSPARP1TNKS2
SCHEMBL8963935 0.78 NPY5R (0.40) PRMT5SLC6A4DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL8963692 0.78 PRMT5 (0.36) PRMT5SLC6A4DRD2DRD4DRD3

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-5514800-A CALCIUM CHANNEL BLOCKERS, CEREBRAL ISCHEMIA SYNTEX PHARMACEUTICALS, LTD. (GB) 1996-05-07 US disclosed