SCHEMBL8963765

SCHEMBL8963765

CCc1[nH]c(-c2ccc(C)cc2)nc1C(C)(C(c1ccccc1)c1ccccc1)N1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.35
PRMT5 O14744 3/20 0.35
KHK P50053 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A4 P31645 3/20 0.33
SLC6A2 P23975 2/20 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
TGFBR1 P36897 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 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
SCHEMBL8963731 0.92 PRMT5 (0.34) OPRD1PRMT5KHKKDM4EMEN1
SCHEMBL8963987 0.87 PRMT5 (0.35) OPRD1PRMT5KHKKDM4EMEN1
Hydrochloric Acid SCHEMBL8963445 0.86 PRMT5 (0.34) OPRD1PRMT5KHKKDM4EMEN1
Hydrochloric Acid SCHEMBL8963610 0.85 SLC6A4 (0.35) OPRD1MEN1ALDH1A1HPGDKMT2A
Hydrochloric Acid SCHEMBL8963617 0.85 PRMT5 (0.38) OPRD1PRMT5KHKKDM4EMEN1
Hydrochloric Acid SCHEMBL8964022 0.82 NPY5R (0.37) OPRD1PRMT5KDM4EMEN1ALDH1A1
SCHEMBL8963935 0.82 NPY5R (0.40) OPRD1PRMT5MEN1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL8963877 0.81 NPY5R (0.39) OPRD1PRMT5MEN1ALDH1A1HPGD
SCHEMBL8963897 0.79 PRMT5 (0.36) OPRD1PRMT5KHKKDM4EMEN1
Hydrochloric Acid SCHEMBL8963925 0.79 HDAC6 (0.39) OPRD1PRMT5HPGDTNKSPARP1

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