SCHEMBL24880628

SCHEMBL24880628

CCOC(=O)CC1CCN(c2ccc(Br)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.49
PDE10A Q9Y233 1/20 0.45
USP14 P54578 1/20 0.45
AKR1C3 P42330 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DEGS1 O15121 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
ALDH1A1 P00352 1/20 0.41
CHRM4 P08173 1/20 0.41
PANK3 Q9H999 1/20 0.41
OPRK1 P41145 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.40
USP30 Q70CQ3 1/20 0.40
P2RY12 Q9H244 1/20 0.39
JAK2 O60674 1/20 0.39

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
SCHEMBL30066240 0.89 DGAT1 (0.45) DGAT1PDE10AAKR1C3DEGS1PPARG
SCHEMBL2145424 0.86 DGAT1 (0.49) DGAT1HPGDSMN1; SMN2DEGS1HRH3
SCHEMBL29990449 0.85 PPARG (0.45) DGAT1PDE10AAKR1C3DEGS1PPARG
SCHEMBL24670864 0.85 PPARG (0.45) DGAT1PDE10AAKR1C3DEGS1PPARG
SCHEMBL10379966 0.84 USP14 (0.44) DGAT1USP14ALDH1A1CHRM4OPRK1
SCHEMBL14511135 0.84 DGAT1 (0.56) DGAT1HPGDSMN1; SMN2DEGS1HRH3
SCHEMBL18400834 0.84 DGAT1 (0.48) DGAT1HPGDSMN1; SMN2DEGS1HRH3
SCHEMBL374689 0.83 USP30 (0.55) DGAT1HPGDSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL24880627 0.83 OXTR (0.39) DGAT1PDE10AUSP14AKR1C3HPGD
SCHEMBL3188250 0.83 SMN1; SMN2 (0.67) DGAT1HPGDSMN1; SMN2HRH3ALDH1A1

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
WO-2023283610-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS BIOGEN MA INC. (US) 2023-01-12 WO disclosed