SCHEMBL4186774

SCHEMBL4186774

CNC(=O)C(OC)(c1ccccc1)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.43
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNA5 P22460 1/20 0.38
KCNN4 O15554 1/20 0.37
CNR2 P34972 1/20 0.37
TACR3 P29371 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL7447904 0.74 OPRM1 (0.47) SMN1; SMN2LMNAOPRM1OPRD1TSHR
SCHEMBL2128020 0.73 SMN1; SMN2 (0.52) SMN1; SMN2LMNAOPRM1OPRD1TSHR
SCHEMBL4559299 0.72 OPRD1 (0.39) SMN1; SMN2OPRD1TSHRMAPTKCNN4
SCHEMBL3312757 0.69 SMN1; SMN2 (0.58) SMN1; SMN2LMNAOPRM1OPRD1TSHR
SCHEMBL4559888 0.69 CYP2B6 (0.47) LMNAMAPTKCNN4ALDH1A1
SCHEMBL2387706 0.69 MAPT (0.49) SMN1; SMN2LMNAATMMAPTPOLB
SCHEMBL27887165 0.68 AKR1C3 (0.47) SMN1; SMN2LMNATSHRMAPTPOLB
SCHEMBL5196298 0.68 KCNN4 (0.50) SMN1; SMN2LMNATSHRMAPTCYP2C19
SCHEMBL12311376 0.67 SMN1; SMN2 (0.42) SMN1; SMN2TSHRMAPTPOLBKDM4E
SCHEMBL10575625 0.67 CYP2C19 (0.58) SMN1; SMN2LMNATSHRMAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781635-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-02-25 EP disclosed
EP-1781635-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-05-09 EP disclosed
WO-2006015159-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed