SCHEMBL8963467

SCHEMBL8963467

Cc1[nH]c(-c2ccc(C(C)(C)C)cc2)nc1C(C(c1ccccc1)c1ccccc1)N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.41
HDAC6 Q9UBN7 1/20 0.39
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PRMT5 O14744 1/20 0.38
TACR1 P25103 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GNRHR P30968 6/20 0.35
SLC6A4 P31645 2/20 0.34
SLC6A2 P23975 2/20 0.34
KCNA5 P22460 1/20 0.34
KCNH2 Q12809 1/20 0.34
PDE2A O00408 1/20 0.34

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
SCHEMBL8963820 0.92 HDAC6 (0.34) OPRD1HDAC6TNKSTNKS2GNRHR
SCHEMBL8963679 0.90 MEN1 (0.42) OPRD1PRMT5MEN1KMT2ASLC6A4
SCHEMBL8963580 0.89 PRMT5 (0.40) OPRD1TNKSTNKS2PRMT5TACR1
SCHEMBL8964174 0.89 TACR1 (0.38) OPRD1PRMT5TACR1MEN1KMT2A
Hydrochloric Acid SCHEMBL8963783 0.88 PRMT5 (0.40) OPRD1TNKSTNKS2PRMT5TACR1
SCHEMBL8963650 0.87 CHEK2 (0.40) OPRD1TNKSTNKS2PRMT5MEN1
SCHEMBL8963691 0.86 TACR1 (0.34) OPRD1HDAC6PRMT5TACR1GNRHR
Hydrochloric Acid SCHEMBL8963518 0.86 OPRD1 (0.41) OPRD1HDAC6TNKSTNKS2PRMT5
SCHEMBL8964068 0.85 PRMT5 (0.44) OPRD1TNKSTNKS2PRMT5MEN1
SCHEMBL8964088 0.83 OPRD1 (0.37) OPRD1TNKSTNKS2PRMT5MEN1

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