SCHEMBL11568693

SCHEMBL11568693

CCOC(=O)c1ccccc1NC1(C(=O)OC)CCN(CCc2ccccc2C)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 8/20 0.41
HSD17B10 Q99714 3/20 0.41
OPRM1 P35372 2/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
CNR2 P34972 1/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 2/20 0.39
CDC25B P30305 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
KCNA3 P22001 1/20 0.38

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
SCHEMBL11563867 0.85 KCNA3 (0.41) ALDH1A1KDM4EHSD17B10OPRM1OPRD1
SCHEMBL11566234 0.85 OPRM1 (0.45) ALDH1A1KDM4EOPRM1OPRD1OPRK1
SCHEMBL11564520 0.85 KCNA3 (0.57) ALDH1A1OPRM1OPRD1OPRK1KMT2A
SCHEMBL11565335 0.83 KCNA3 (0.52) ALDH1A1OPRM1OPRD1OPRK1KMT2A
SCHEMBL11562170 0.83 MEN1 (0.51) KDM4EOPRM1OPRD1OPRK1KMT2A
SCHEMBL11793631 0.81 OPRM1 (0.44) ALDH1A1KDM4EOPRM1OPRD1OPRK1
SCHEMBL11563022 0.81 KDM4E (0.46) ALDH1A1KDM4EHSD17B10KMT2ATDP1
SCHEMBL11563023 0.80 KCNA3 (0.47) ALDH1A1OPRM1OPRD1OPRK1MAPT
SCHEMBL11565124 0.80 KDM4E (0.51) ALDH1A1KDM4EHSD17B10OPRM1OPRD1
SCHEMBL11564832 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10KMT2ATDP1

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-4179569-A ANALGESIC INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1979-12-18 US disclosed
US-3998834-A ANALGESICS JANSSEN PHARMACEUTICA N.V. (BE) 1976-12-21 US disclosed