SCHEMBL8963690

SCHEMBL8963690

CCCc1[nH]c(-c2ccc(C)cc2)nc1C(C(c1ccccc1)c1ccccc1)N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.37
PDE5A O76074 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
SLC6A4 P31645 8/20 0.35
SLC6A2 P23975 5/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRD1 P41143 5/20 0.34
OPRM1 P35372 2/20 0.34
TACR1 P25103 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KHK P50053 1/20 0.33

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
SCHEMBL8963459 0.94 PRMT5 (0.36) PRMT5SLC6A4SLC6A2MEN1KMT2A
SCHEMBL8963580 0.85 PRMT5 (0.40) PRMT5SLC6A4SLC6A2MEN1KMT2A
SCHEMBL8963817 0.84 PRMT5 (0.42) PRMT5SLC6A4SLC6A2MEN1KMT2A
Hydrochloric Acid SCHEMBL8963783 0.84 PRMT5 (0.40) PRMT5SLC6A4SLC6A2MEN1KMT2A
SCHEMBL8963826 0.82 PRMT5 (0.40) PRMT5SLC6A4SLC6A2MEN1KMT2A
SCHEMBL8963679 0.80 MEN1 (0.42) PRMT5SLC6A4SLC6A2MEN1KMT2A
SCHEMBL8964088 0.80 OPRD1 (0.37) PRMT5MEN1KMT2AOPRD1OPRM1
SCHEMBL8963725 0.78 CYP3A4 (0.44) MEN1KMT2AOPRD1OPRM1SLC6A3
SCHEMBL8964111 0.78 SLC6A4 (0.41) SLC6A4SLC6A2MEN1KMT2AOPRD1
SCHEMBL8963637 0.77 MAPK13 (0.37) PRMT5SLC6A4SLC6A2OPRD1OPRM1

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