SCHEMBL10401736

SCHEMBL10401736

CC(C)(C)OC(=O)NC(OC(=O)C1NCCc2ccccc21)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PRCP P42785 2/20 0.38
EPHX2 P34913 1/20 0.38
SCN9A Q15858 1/20 0.37
IDO1 P14902 1/20 0.37
OPRM1 P35372 7/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
OPRK1 P41145 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
SLC18A2 Q05940 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL9524766 0.88 TSHR (0.47) TSHRNPSR1PRCPEPHX2SCN9A
SCHEMBL7694988 0.81 TSHR (0.60) TSHRNPSR1PRCPOPRM1SLC6A2
SCHEMBL30442509 0.81 TSHR (0.60) TSHRNPSR1PRCPOPRM1SLC6A2
SCHEMBL30829405 0.81 TSHR (0.60) TSHRNPSR1PRCPOPRM1SLC6A2
SCHEMBL9526040 0.79 TSHR (0.42) TSHRNPSR1PRCPEPHX2SCN9A
SCHEMBL9524757 0.77 TSHR (0.46) TSHRNPSR1IDO1OPRM1SLC6A2
SCHEMBL10401735 0.75 TSHR (0.44) TSHRNPSR1OPRM1SLC6A2SLC6A4
SCHEMBL18085727 0.75 TSHR (0.65) TSHRNPSR1PRCPOPRM1SLC6A2
SCHEMBL3609322 0.75 TSHR (0.65) TSHRNPSR1PRCPOPRM1SLC6A2
SCHEMBL31569203 0.75 TSHR (0.65) TSHRNPSR1PRCPOPRM1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4962113-A PLATELET ACTIVATING FACTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1990-10-09 US disclosed