SCHEMBL2553323

SCHEMBL2553323

CN1CCN(Cc2ccccc2B(O)O)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.55
CHRNA7 P36544 1/20 0.54
MPO P05164 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
HTR6 P50406 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
KMT2A Q03164 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
Hydrochloric Acid SCHEMBL29953977 0.98 MC4R (0.53) MC4RCHRNA7MPOKDM4EALDH1A1
SCHEMBL2561014 0.88 DRD2 (0.50) CHRNA7MPOKDM4EALDH1A1POLB
SCHEMBL29504703 0.85 ALDH1A1 (0.55) CHRNA7MPOKDM4EALDH1A1POLB
SCHEMBL21352377 0.85 ALDH1A1 (0.55) CHRNA7MPOKDM4EALDH1A1POLB
SCHEMBL28983737 0.85 KDM4E (0.53) CHRNA7MPOKDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL29954918 0.84 ALDH1A1 (0.53) CHRNA7MPOKDM4EALDH1A1POLB
SCHEMBL2464403 0.84 ALDH1A1 (0.58) CHRNA7MPOKDM4EALDH1A1POLB
SCHEMBL29952724 0.84 ALDH1A1 (0.58) CHRNA7MPOKDM4EALDH1A1POLB
SCHEMBL2559065 0.82 LIPG (0.47) MPOKDM4EALDH1A1POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL29956387 0.82 ALDH1A1 (0.56) CHRNA7MPOKDM4EALDH1A1POLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed