SCHEMBL4789352

SCHEMBL4789352

N#CC(CC1C2CCC1CN(Cc1ccc3c(c1)OCO3)C2)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
SIGMAR1 Q99720 2/20 0.45
TRPV6 Q9H1D0 1/20 0.44
PAX8 Q06710 1/20 0.44
LMNA P02545 2/20 0.43
MCHR1 Q99705 2/20 0.43
KDM4E B2RXH2 2/20 0.42
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
FAAH O00519 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL4789955 0.90 TSHR (0.42) TSHRSIGMAR1LMNAKDM4EDRD2
SCHEMBL4757519 0.83 KCNA3 (0.54) DRD2DRD3
SCHEMBL4790247 0.81 SIGMAR1 (0.48) TSHRSIGMAR1LMNAMCHR1FAAH
SCHEMBL4789539 0.80 CHRM3 (0.41) TSHRMEN1KMT2A
SCHEMBL4789381 0.79 ALDH1A1 (0.44) TSHRKDM4EDRD2MEN1KMT2A
SCHEMBL4788570 0.78 CHRM3 (0.38) TSHR
SCHEMBL4789529 0.78 ADRA1A (0.41) TSHRLMNAKDM4EDRD2DRD3
SCHEMBL4788488 0.77 CHRM3 (0.40) TSHRLMNAKDM4EDRD2MEN1
SCHEMBL4755411 0.75 CHRM2 (0.46) DRD2DRD3
SCHEMBL5818614 0.74 ALDH1A1 (0.51) TSHRSIGMAR1TRPV6MCHR1KDM4E

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
WO-2008117229-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-10-02 WO claimed
WO-2008117229-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-10-02 WO disclosed