SCHEMBL8963855

SCHEMBL8963855

Cc1ccc(-c2nc(C(C(c3ccccc3C)c3ccccc3C)N3CCNCC3)c(C)[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.34
PARP1 P09874 2/20 0.34
TNKS2 Q9H2K2 2/20 0.34
PRMT5 O14744 3/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
TACR1 P25103 1/20 0.33
ADRB1 P08588 3/20 0.32
CYP2D6 P10635 1/20 0.32
KCNH2 Q12809 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
HTR5A P47898 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL8964034 0.89 SLC6A2 (0.36) TNKSPARP1TNKS2PRMT5SLC6A2
SCHEMBL8963505 0.89 SLC6A2 (0.41) TNKSPARP1TNKS2PRMT5SLC6A2
SCHEMBL8963527 0.88 PRMT5 (0.32) TNKSPARP1TNKS2PRMT5DRD2
SCHEMBL8963580 0.87 PRMT5 (0.40) TNKSPARP1TNKS2PRMT5SLC6A2
Hydrochloric Acid SCHEMBL8963783 0.86 PRMT5 (0.40) TNKSPARP1TNKS2PRMT5SLC6A2
SCHEMBL8964088 0.85 OPRD1 (0.37) TNKSPARP1TNKS2PRMT5ADRB1
SCHEMBL8963675 0.82 TACR1 (0.36) TNKSPARP1TNKS2PRMT5TACR1
SCHEMBL8963679 0.81 MEN1 (0.42) PRMT5SLC6A2SLC6A4DRD2DRD4
SCHEMBL8963637 0.80 MAPK13 (0.37) PRMT5SLC6A2SLC6A4CYP2D6KCNH2
SCHEMBL8963516 0.80 CHEK2 (0.42) PRMT5ADRB1CYP2D6HTR1AHTR1D

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