SCHEMBL4725665

SCHEMBL4725665

CCN1CCOC(c2ccc(NS(=O)(=O)c3ccc(Br)cc3C)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.44
DRD3 P35462 5/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
BRD4 O60885 2/20 0.38
BRD1 O95696 1/20 0.38
BRPF1 P55201 1/20 0.38
BRPF3 Q9ULD4 1/20 0.38
CNR2 P34972 1/20 0.37
MOGAT2 Q3SYC2 3/20 0.37
MGAT2 Q10469 1/20 0.36
PKM P14618 1/20 0.36
ATM Q13315 1/20 0.36
CREBBP Q92793 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL4725656 0.90 KMT2A (0.45) DRD3LMNAMAPTBRD4BRPF1
SCHEMBL4726285 0.88 PKM (0.48) DRD3LMNAMAPTBRD4CNR2
SCHEMBL4727604 0.86 MEN1 (0.47) DRD3LMNAMAPTBRD4CNR2
SCHEMBL4779869 0.86 SMN1; SMN2 (0.51) GHSRLMNAMAPTBRD4PKM
SCHEMBL4727679 0.84 ALDH1A1 (0.48) DRD3LMNAMAPTCNR2PKM
SCHEMBL4727167 0.83 DRD3 (0.45) DRD3LMNAMAPTBRD4CNR2
SCHEMBL4729520 0.82 MOGAT2 (0.44) DRD3LMNABRD4CNR2MOGAT2
SCHEMBL4725451 0.82 MAPT (0.53) DRD3LMNAMAPTCA1CA2
SCHEMBL4728002 0.81 MOGAT2 (0.45) DRD3MAPTBRD4CNR2MOGAT2
SCHEMBL4728553 0.81 ALPL (0.44) DRD3LMNAPKMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008026046-A1 MORPHOLINE D3 DOPAMINE ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-03-06 WO claimed
WO-2008026046-A1 MORPHOLINE D3 DOPAMINE ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-03-06 WO disclosed