SCHEMBL7735004

SCHEMBL7735004

CN1CC(O)OC(c2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
CHRM4 P08173 1/20 0.38
CHRM3 P20309 1/20 0.38
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BRD4 O60885 3/20 0.35
MAPT P10636 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
SCHEMBL27751164 0.83 TSHR (0.38) TSHRCHRM4CHRM3SLC6A2SLC6A4
SCHEMBL27771861 0.76 TSHR (0.38) TSHRCHRM4CHRM3SLC6A2SLC6A4
SCHEMBL18533183 0.76 SLC6A2 (0.44) TSHRCHRM4CHRM3SLC6A2SLC6A4
SCHEMBL11162550 0.71 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3DRD2
SCHEMBL18055938 0.71 SLC6A2 (0.53) TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL15481911 0.71 SLC6A2 (0.53) TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL22000936 0.69 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL13257724 0.69 CYP2D6 (0.52) TSHRCHRM3SLC6A2SLC6A4SLC6A3
SCHEMBL16510079 0.69 CYP2D6 (0.52) TSHRCHRM3SLC6A2SLC6A4SLC6A3
SCHEMBL2743213 0.69 CYP2D6 (0.52) TSHRCHRM3SLC6A2SLC6A4SLC6A3

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-1174971-C Morpholino ethers 葛兰素惠尔康有限公司 2004-11-10 CN disclosed
US-6410528-B1 FUNGICIDES, ANTIPROTOZOA AGENT GLAXO WELLCOME S.A. (ES) 2002-06-25 US disclosed
EP-1077959-A1 MORPHOLINO ETHERS Glaxo Wellcome S.A. (ES) 2001-02-28 EP disclosed
WO-1999058512-A1 MORPHOLINO ETHERS GLAXO WELLCOME S.A. (ES) 1999-11-18 WO disclosed