SCHEMBL27513596

SCHEMBL27513596

CCCCN1CCC(OS(C)(=O)=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.51
GNAO1 P09471 6/20 0.42
GNAI3 P08754 5/20 0.42
GNAI1 P63096 5/20 0.42
CHRM3 P20309 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
GLB1 P16278 1/20 0.38
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL19662033 0.82 HRH3 (0.43) HRH3CHRM3
SCHEMBL30669405 0.79 GNAO1 (0.50) GNAO1GNAI3GNAI1CHRM3
SCHEMBL11468832 0.77 GUSB (0.49) GNAO1GNAI3GNAI1GLB1
SCHEMBL11460694 0.77 GUSB (0.49) GNAO1GNAI3GNAI1GLB1
SCHEMBL11466227 0.77 GUSB (0.49) GNAO1GNAI3GNAI1GLB1
SCHEMBL12064339 0.76 GNAO1 (0.48) GNAO1GNAI3GNAI1CHRM3MAOA
SCHEMBL1928295 0.75 CYP2D6 (0.46) HRH3CHRM3CYP2D6
SCHEMBL13085773 0.75 HRH3 (0.39) HRH3CHRM3CYP2D6
SCHEMBL12464727 0.74 GNAO1 (0.47) GNAO1GNAI3GNAI1CHRM3MAOA
SCHEMBL28833655 0.74 HRH3 (0.40) HRH3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100345833-C Modulators of dopamine neurotransmission CARLSSON RES AB (SE) 2007-10-31 CN disclosed
CN-1255382-C Novel modulators of dopamine neurotransmission CARLSSON A RESEARCH AB (SE) 2006-05-10 CN disclosed
CN-1765890-A Modulators of dopamine neurotransmission CARLSSON RES AB (SE) 2006-05-03 CN disclosed
CN-1420869-A Novel modulators of dopamine neurotransmission CARLSSON A RESEARCH AB (SE) 2003-05-28 CN disclosed