SCHEMBL4987222

SCHEMBL4987222

O=C(OC1C2CCC1NC2)C(O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.51
CHRM2 P08172 4/20 0.51
CHRM1 P11229 3/20 0.50
KCNH2 Q12809 3/20 0.50
CHRM4 P08173 2/20 0.50
CHRM5 P08912 2/20 0.50
HTR2B P41595 2/20 0.50
CYP1A2 P05177 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HRH1 P35367 1/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
POLB P06746 1/20 0.47
CYP2C19 P33261 2/20 0.47
SLC6A3 Q01959 2/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL4982561 1.00 CHRM3 (0.51) CHRM3CHRM2CHRM1KCNH2CHRM4
SCHEMBL4987229 1.00 CHRM3 (0.51) CHRM3CHRM2CHRM1KCNH2CHRM4
SCHEMBL4982565 1.00 CHRM3 (0.51) CHRM3CHRM2CHRM1KCNH2CHRM4
SCHEMBL4183546 0.99 CHRM3 (0.52) CHRM3CHRM2CHRM1KCNH2CHRM4
SCHEMBL4985946 0.99 CHRM3 (0.52) CHRM3CHRM2CHRM1KCNH2CHRM4
SCHEMBL4186775 0.85 CHRM3 (0.55) CHRM3CHRM2CHRM1KCNH2CHRM4
SCHEMBL4182100 0.83 CHRM3 (0.49) CHRM3CHRM2CHRM1KCNH2CHRM4
SCHEMBL19236043 0.82 CHRM3 (0.54) CHRM3CHRM2CHRM1KCNH2CHRM4
SCHEMBL16509306 0.82 CHRM3 (0.54) CHRM3CHRM2CHRM1KCNH2CHRM4
SCHEMBL16509307 0.82 CHRM3 (0.54) CHRM3CHRM2CHRM1KCNH2CHRM4

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
EP-1968980-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-09-17 EP claimed
WO-2007110782-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-10-04 WO claimed
EP-1968980-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-09-17 EP disclosed
WO-2007110782-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-10-04 WO disclosed