SCHEMBL8963987

SCHEMBL8963987

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 4/20 0.35
KHK P50053 1/20 0.34
SLC6A4 P31645 3/20 0.33
SLC6A2 P23975 2/20 0.33
OPRD1 P41143 2/20 0.33
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
HTR3A P46098 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
TACR1 P25103 1/20 0.30

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
Hydrochloric Acid SCHEMBL8963445 0.99 PRMT5 (0.34) PRMT5KHKSLC6A4SLC6A2OPRD1
SCHEMBL8963897 0.90 PRMT5 (0.36) PRMT5KHKSLC6A4SLC6A2OPRD1
SCHEMBL8963765 0.87 OPRD1 (0.35) PRMT5KHKSLC6A4SLC6A2OPRD1
Hydrochloric Acid SCHEMBL8963752 0.84 DRD2 (0.35) PRMT5KHKSLC6A4SLC6A2OPRD1
SCHEMBL8963837 0.83 PRMT5 (0.35) PRMT5KHKSLC6A4SLC6A2OPRD1
SCHEMBL8963731 0.80 PRMT5 (0.34) PRMT5KHKSLC6A4SLC6A2OPRD1
Hydrochloric Acid SCHEMBL8963841 0.77 DRD2 (0.35) PRMT5KHKSLC6A4SLC6A2OPRD1
Hydrochloric Acid SCHEMBL8963617 0.74 PRMT5 (0.38) PRMT5KHKOPRD1TNKSPARP1
Hydrochloric Acid SCHEMBL8963995 0.73 PRMT5 (0.39) PRMT5TNKSPARP1TNKS2HTR3A
Hydrochloric Acid SCHEMBL8963610 0.72 SLC6A4 (0.35) SLC6A4SLC6A2OPRD1MEN1ALDH1A1

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