SCHEMBL8661776

SCHEMBL8661776

CCOC(=O)[C@]12CC[C@@H](Nc3ccccc3N)[C@H](CC1)N2C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.37
OPRD1 P41143 4/20 0.37
OPRK1 P41145 4/20 0.37
SLC22A1 O15245 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 1/20 0.35
CDC25B P30305 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
THRB P10828 1/20 0.34
HDAC3 O15379 1/20 0.34

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
SCHEMBL8661779 1.00 OPRM1 (0.37) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL8658723 0.84 HTT (0.41) SMN1; SMN2ALDH1A1LMNAKDM4EKMT2A
SCHEMBL8658726 0.84 HTT (0.41) SMN1; SMN2ALDH1A1LMNAKDM4EKMT2A
SCHEMBL8660329 0.71 OPRM1 (0.34) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL8660331 0.71 OPRM1 (0.34) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL4918724 0.68 NOS2 (0.62) SMN1; SMN2ALDH1A1HSD17B10LMNAMAPT
SCHEMBL1834076 0.66 KDM4E (0.50) ALOX15SMN1; SMN2ALDH1A1HSD17B10MAPT
SCHEMBL1573964 0.66 CHRM1 (0.55) ALOX15
SCHEMBL1573962 0.66 CHRM1 (0.55) ALOX15
SCHEMBL3517254 0.65 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1HSD17B10CDC25BHDAC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756508-A Muscarine antagonists MERCK & CO., INC. (US) 1998-05-26 US disclosed
WO-1997016192-A1 MUSCARINE ANTAGONISTS MERCK & CO., INC. (US) 1997-05-09 WO disclosed