SCHEMBL8964088

SCHEMBL8964088

Cc1ccc(-c2nc(C(C(c3ccc(C)cc3)c3ccc(C)cc3)N3CCNCC3)c(C)[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.37
OPRM1 P35372 1/20 0.37
CHEK2 O96017 2/20 0.35
HTR2B P41595 3/20 0.34
HTR1A P08908 2/20 0.34
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
HTR7 P34969 2/20 0.34
HTR6 P50406 2/20 0.34
HTR5A P47898 1/20 0.34
ADRB1 P08588 1/20 0.34
PRMT5 O14744 1/20 0.34
DGAT1 O75907 1/20 0.32
HTR3A P46098 2/20 0.32
HTR2A P28223 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 1/20 0.32
TNKS O95271 1/20 0.31
PARP1 P09874 1/20 0.31
TNKS2 Q9H2K2 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
SCHEMBL8963637 0.94 MAPK13 (0.37) OPRD1OPRM1CHEK2HTR2BHTR1A
SCHEMBL8963516 0.94 CHEK2 (0.42) OPRD1OPRM1CHEK2HTR2BHTR1A
SCHEMBL8963580 0.94 PRMT5 (0.40) OPRD1PRMT5TNKSPARP1TNKS2
Hydrochloric Acid SCHEMBL8963783 0.93 PRMT5 (0.40) OPRD1PRMT5TNKSPARP1TNKS2
SCHEMBL8963737 0.92 OPRM1 (0.38) OPRD1OPRM1HTR2BHTR1AHTR1D
SCHEMBL8963820 0.92 HDAC6 (0.34) OPRD1OPRM1CHEK2TNKSTNKS2
SCHEMBL8963675 0.89 TACR1 (0.36) OPRD1OPRM1CHEK2HTR2BHTR1A
SCHEMBL8963679 0.88 MEN1 (0.42) OPRD1PRMT5MEN1KMT2ADRD2
SCHEMBL8964138 0.86 SLC6A4 (0.38) OPRD1OPRM1CHEK2HTR2BHTR1A
SCHEMBL8963855 0.85 TNKS (0.34) CHEK2HTR2BHTR1AHTR1DHTR1B

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