SCHEMBL4649360

SCHEMBL4649360

O=C(NC1C2CCC1CN(Cc1ccc3c(c1)OCO3)C2)C1Cc2ccccc2CN1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.48
MCHR1 Q99705 7/20 0.46
TSHR P16473 2/20 0.45
FAAH O00519 1/20 0.45
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
NR1H4 Q96RI1 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
SLC6A12 P48065 1/20 0.42
SLC6A13 Q9NSD5 1/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL4803652 0.88 PTPN1 (0.42) SIGMAR1MCHR1TSHRFAAHALDH1A1
SCHEMBL4649758 0.86 POLB (0.46) NPSR1DRD2DRD4LMNA
SCHEMBL4649247 0.85 SIGMAR1 (0.44) SIGMAR1MCHR1TSHRFAAHALDH1A1
SCHEMBL4649677 0.81 SIGMAR1 (0.46) SIGMAR1MCHR1TSHRFAAHALDH1A1
SCHEMBL4650554 0.80 CHRM1 (0.41) FAAHNPSR1DRD2
SCHEMBL4649730 0.78 NAMPT (0.42) SIGMAR1TSHRALDH1A1
SCHEMBL4649602 0.77 CFTR (0.46) NPSR1LMNA
SCHEMBL4925914 0.75 HDAC8 (0.48) NPSR1
SCHEMBL4649174 0.73 TSHR (0.42) SIGMAR1MCHR1TSHRALDH1A1LMNA
SCHEMBL4649679 0.72 POLB (0.45) TSHRALDH1A1NPSR1LMNA

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
EP-1904495-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP disclosed
WO-2007007281-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed