SCHEMBL8963731

SCHEMBL8963731

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE5A O76074 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
OPRD1 P41143 2/20 0.32
KHK P50053 1/20 0.32
CTSS P25774 2/20 0.32
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
HTR3A P46098 1/20 0.31
SLC6A4 P31645 3/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL8963765 0.92 OPRD1 (0.35) PRMT5KDM4EMEN1ALDH1A1GLA
Hydrochloric Acid SCHEMBL8963617 0.83 PRMT5 (0.38) PRMT5KDM4EMEN1ALDH1A1GLA
Hydrochloric Acid SCHEMBL8964022 0.81 NPY5R (0.37) PRMT5KDM4EMEN1ALDH1A1GLA
SCHEMBL8963935 0.80 NPY5R (0.40) PRMT5MEN1ALDH1A1HPGDKMT2A
SCHEMBL8963987 0.80 PRMT5 (0.35) PRMT5KDM4EMEN1ALDH1A1GLA
Hydrochloric Acid SCHEMBL8963877 0.79 NPY5R (0.39) PRMT5MEN1ALDH1A1HPGDKMT2A
Hydrochloric Acid SCHEMBL8963445 0.79 PRMT5 (0.34) PRMT5KDM4EMEN1ALDH1A1GLA
SCHEMBL8963837 0.78 PRMT5 (0.35) PRMT5KDM4EMEN1ALDH1A1GLA
Hydrochloric Acid SCHEMBL8963610 0.78 SLC6A4 (0.35) MEN1ALDH1A1HPGDKMT2AOPRD1
SCHEMBL8963897 0.77 PRMT5 (0.36) PRMT5KDM4EMEN1ALDH1A1GLA

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