SCHEMBL29952563

SCHEMBL29952563

CCCC1CCN(Cc2ccc(B(O)O)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.47
CHRM4 P08173 1/20 0.45
LPL P06858 2/20 0.45
LIPG Q9Y5X9 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2D6 P10635 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
BCHE P06276 2/20 0.44
CCR3 P51677 1/20 0.43

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
SCHEMBL15096667 0.88 HRH3 (0.46) ACHELPLLIPGMEN1ALDH1A1
SCHEMBL29957545 0.83 LPL (0.47) ACHELPLLIPGMEN1ALDH1A1
SCHEMBL18580991 0.81 HRH3 (0.67) ACHELPLLIPGMEN1ALDH1A1
SCHEMBL69200 0.80 CCR3 (0.67) ACHEALDH1A1HRH3BCHECCR3
SCHEMBL25531168 0.79 TEAD1 (0.54) ACHEMEN1KMT2AHRH3CCR3
SCHEMBL10457050 0.78 LPL (0.59) LPLLIPGMEN1ALDH1A1KMT2A
SCHEMBL10457051 0.78 LPL (0.59) LPLLIPGMEN1ALDH1A1KMT2A
SCHEMBL15033014 0.78 LTA4H (0.46) ACHELPLLIPGMEN1ALDH1A1
SCHEMBL29951850 0.78 LPL (0.50) LPLLIPGMEN1ALDH1A1RAB9A
SCHEMBL29955881 0.78 CCR5 (0.46) ACHELPLLIPGMEN1ALDH1A1

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