SCHEMBL8963737

SCHEMBL8963737

COc1ccc(C(c2ccc(OC)cc2)C(c2nc(-c3ccc(C)cc3)[nH]c2C)N2CCNCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
PRMT5 O14744 1/20 0.36
HTR1A P08908 5/20 0.35
HTR7 P34969 3/20 0.35
HTR2B P41595 2/20 0.35
HTR1B P28222 1/20 0.35
HTR6 P50406 1/20 0.35
HTR3A P46098 4/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
AURKA O14965 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL8964088 0.92 OPRD1 (0.37) OPRM1OPRD1PRMT5HTR1AHTR7
SCHEMBL8964068 0.92 PRMT5 (0.44) OPRM1OPRD1PRMT5HTR1AHTR7
SCHEMBL8963532 0.88 SLC6A2 (0.41) OPRM1OPRD1PRMT5HTR1AHTR7
SCHEMBL8963637 0.87 MAPK13 (0.37) OPRM1OPRD1PRMT5HTR1AHTR7
SCHEMBL8963516 0.87 CHEK2 (0.42) OPRM1OPRD1PRMT5HTR1AHTR7
SCHEMBL8963580 0.87 PRMT5 (0.40) OPRD1PRMT5KMT2AMEN1TACR1
Hydrochloric Acid SCHEMBL8963783 0.86 PRMT5 (0.40) OPRD1PRMT5KMT2AMEN1TACR1
SCHEMBL8963820 0.85 HDAC6 (0.34) OPRM1OPRD1HPGD
SCHEMBL8963505 0.82 SLC6A2 (0.41) PRMT5HTR1AHTR7HTR6HTR3A
SCHEMBL8963675 0.82 TACR1 (0.36) OPRM1OPRD1PRMT5HTR1AHTR7

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