SCHEMBL29957623

SCHEMBL29957623

CN(C)C1CCN(Cc2cccc(B(O)O)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.45
ENPP2 Q13822 2/20 0.44
TNKS O95271 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
OPRM1 P35372 3/20 0.41
LPL P06858 2/20 0.41
LIPG Q9Y5X9 2/20 0.41
ACHE P22303 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CCR3 P51677 1/20 0.41

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
SCHEMBL26488577 0.85 ACHE (0.59) PARP1ENPP2LPLLIPGACHE
SCHEMBL29956004 0.83 PARP1 (0.45) PARP1TNKSSIGMAR1DRD2HTR2A
SCHEMBL29957545 0.80 LPL (0.47) ENPP2LPLLIPGACHEMEN1
SCHEMBL1724355 0.79 SMN1; SMN2 (0.60) ENPP2LPLLIPG
SCHEMBL29953904 0.79 KDM4E (0.45) ENPP2LPLLIPG
SCHEMBL3666137 0.79 MC4R (0.57) ENPP2SIGMAR1LPLLIPG
SCHEMBL29955283 0.78 SMN1; SMN2 (0.63) ENPP2
SCHEMBL2248354 0.78 SMN1; SMN2 (0.63) ENPP2
Hydrochloric Acid SCHEMBL29955383 0.78 SMN1; SMN2 (0.58) ENPP2LPLLIPG
SCHEMBL29956692 0.78 MBTD1 (0.50) ENPP2

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