SCHEMBL8964068

SCHEMBL8964068

COc1ccc(-c2nc(C(C(c3ccccc3)c3ccccc3)N3CCNCC3)c(C)[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.44
HTR7 P34969 3/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
HTR1A P08908 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
TNKS O95271 1/20 0.39
GUSB P08236 1/20 0.39
PARP1 P09874 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
AURKA O14965 1/20 0.37
TP53 P04637 3/20 0.37

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
SCHEMBL8963737 0.92 OPRM1 (0.38) PRMT5HTR7HTR1ANPC1RAB9A
SCHEMBL8963679 0.90 MEN1 (0.42) PRMT5SLC6A2SLC6A4MEN1KMT2A
SCHEMBL8963580 0.89 PRMT5 (0.40) PRMT5SLC6A2SLC6A4TNKSPARP1
SCHEMBL8963561 0.89 SLC6A2 (0.47) HTR7SLC6A2SLC6A4HTR1ANPC1
Hydrochloric Acid SCHEMBL8963783 0.88 PRMT5 (0.40) PRMT5SLC6A2SLC6A4TNKSPARP1
SCHEMBL8963650 0.87 CHEK2 (0.40) PRMT5SLC6A2SLC6A4ALDH1A1TNKS
Hydrochloric Acid SCHEMBL8963878 0.86 PRMT5 (0.42) PRMT5HTR7SLC6A2SLC6A4HTR1A
SCHEMBL8963532 0.86 SLC6A2 (0.41) PRMT5HTR7SLC6A2SLC6A4HTR1A
SCHEMBL8963467 0.85 OPRD1 (0.41) PRMT5SLC6A2SLC6A4TNKSTNKS2
SCHEMBL8963670 0.85 PDE2A (0.42) HTR7SLC6A2SLC6A4HTR1AKDM4E

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