SCHEMBL8963675

SCHEMBL8963675

Cc1ccc(-c2nc(C(C(c3cccc(C)c3)c3cccc(C)c3)N3CCNCC3)c(C)[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.36
ADRB1 P08588 1/20 0.35
PRMT5 O14744 1/20 0.35
PIN1 Q13526 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHEK2 O96017 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
MAPK14 Q16539 1/20 0.32
OPRD1 P41143 2/20 0.32
OPRM1 P35372 1/20 0.32
KHK P50053 1/20 0.31
HTR1A P08908 2/20 0.31
HTR1D P28221 2/20 0.31
HTR7 P34969 2/20 0.31
HTR2B P41595 2/20 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
SCHEMBL8964138 0.91 SLC6A4 (0.38) TACR1ADRB1PRMT5PIN1CHEK2
SCHEMBL8963580 0.90 PRMT5 (0.40) TACR1PRMT5MEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL8963783 0.89 PRMT5 (0.40) TACR1PRMT5MEN1KMT2ACYP3A4
SCHEMBL8963691 0.89 TACR1 (0.34) TACR1PRMT5CHEK2OPRD1
SCHEMBL8963532 0.89 SLC6A2 (0.41) TACR1ADRB1PRMT5PIN1CYP3A4
SCHEMBL8964088 0.89 OPRD1 (0.37) ADRB1PRMT5MEN1KMT2ACHEK2
SCHEMBL8963860 0.87 PIN1 (0.43) TACR1ADRB1PRMT5PIN1MEN1
SCHEMBL8963679 0.84 MEN1 (0.42) PRMT5PIN1MEN1KMT2AOPRD1
SCHEMBL8963516 0.84 CHEK2 (0.42) ADRB1PRMT5CHEK2OPRD1OPRM1
SCHEMBL8963637 0.84 MAPK13 (0.37) PRMT5CHEK2MAPK14OPRD1OPRM1

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