SCHEMBL29955546

SCHEMBL29955546

NC(=O)c1ccc(CN2CCCCC2C=O)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 11/20 0.42
OPRM1 P35372 10/20 0.42
OPRD1 P41143 9/20 0.42
KCNH2 Q12809 3/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ADRB2 P07550 1/20 0.37
CFB P00751 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36

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
SCHEMBL29955452 0.91 OPRK1 (0.40) OPRK1OPRM1OPRD1KCNH2CFB
SCHEMBL29955663 0.80 GAA (0.46) OPRK1OPRM1OPRD1MEN1KMT2A
SCHEMBL29954066 0.78 ALDH1A1 (0.45) OPRK1OPRM1OPRD1KCNH2DRD2
SCHEMBL2562106 0.78 CYP2D6 (0.45) OPRK1OPRM1OPRD1KCNH2MEN1
SCHEMBL29952091 0.77 ALDH1A1 (0.44) OPRK1OPRM1OPRD1KCNH2DRD2
SCHEMBL2555414 0.75 SMN1; SMN2 (0.43) OPRM1
SCHEMBL16380633 0.69 ALDH1A1 (0.48) KCNH2DRD2HTR2AHTR2CMEN1
SCHEMBL4260815 0.69 CYP2A13 (0.54) MEN1KMT2A
SCHEMBL16380724 0.69 ALDH1A1 (0.48) MEN1KMT2AADRB2
SCHEMBL22944169 0.69 OPRM1 (0.36) OPRK1OPRM1OPRD1KCNH2MAOB

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed