SCHEMBL8310994

SCHEMBL8310994

CC(C)(C)OC(=O)N1CC[C@@](OCc2ccccc2)(c2ccc(Cl)cc2)[C@H](OCc2ccc(O)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
CCR1 P32246 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TACR1 P25103 1/20 0.39
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
HTR6 P50406 2/20 0.38
YAP1 P46937 2/20 0.38
NR1D1 P20393 2/20 0.38
VEGFA P15692 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
BCHE P06276 1/20 0.37
KDM1A O60341 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL8312282 0.93 YAP1 (0.41) OPRD1OPRK1JAK2JAK1CCR1
SCHEMBL6094817 0.93 YAP1 (0.41) OPRD1OPRK1JAK2JAK1CCR1
SCHEMBL6094822 0.93 YAP1 (0.41) OPRD1OPRK1JAK2JAK1CCR1
SCHEMBL8306441 0.92 CCR5 (0.40) OPRD1OPRK1JAK2JAK1CCR1
SCHEMBL6094255 0.92 CCR5 (0.40) OPRD1OPRK1JAK2JAK1CCR1
SCHEMBL6273383 0.92 CCR5 (0.40) OPRD1OPRK1JAK2JAK1CCR1
SCHEMBL6094257 0.92 CCR5 (0.40) OPRD1OPRK1JAK2JAK1CCR1
SCHEMBL6273386 0.92 CCR5 (0.40) OPRD1OPRK1JAK2JAK1CCR1
SCHEMBL14028090 0.82 TACR1 (0.46) OPRD1OPRK1JAK2JAK1TACR1
SCHEMBL6094818 0.81 CCR1 (0.41) CCR1

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
WO-2004080460-A1 SUBSTITUTED PIPERIDINES AS NOVEL MDM2-p53 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-23 WO disclosed