SCHEMBL29955859

SCHEMBL29955859

CCCN1CCN(Cc2cccc(B(O)O)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.51
LIPG Q9Y5X9 2/20 0.51
ENPP2 Q13822 3/20 0.47
DRD2 P14416 1/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MC4R P32245 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3666137 0.88 MC4R (0.57) LPLLIPGENPP2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL29953930 0.87 MC4R (0.56) LPLLIPGENPP2ALDH1A1KDM4E
SCHEMBL1724355 0.83 SMN1; SMN2 (0.60) LPLLIPGENPP2ALDH1A1KDM4E
SCHEMBL17165356 0.82 MC4R (0.50) LPLLIPGENPP2ALDH1A1KDM4E
SCHEMBL29951850 0.81 LPL (0.50) LPLLIPGALDH1A1LMNASIGMAR1
SCHEMBL29955283 0.81 SMN1; SMN2 (0.63) ENPP2ALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL2248354 0.81 SMN1; SMN2 (0.63) ENPP2ALDH1A1KDM4ETDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL29955383 0.81 SMN1; SMN2 (0.58) LPLLIPGENPP2ALDH1A1KDM4E
SCHEMBL3663917 0.81 ENPP2 (0.46) LPLLIPGENPP2ALDH1A1KDM4E
SCHEMBL3668651 0.81 KDM4E (0.56) LPLLIPGENPP2ALDH1A1KDM4E

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