SCHEMBL1817248

SCHEMBL1817248

NC(=O)c1ccc(N2CCC(C(=O)O)CC2)cc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 13/20 0.60
PDK2 Q15119 1/20 0.49
SERPINE1 P05121 3/20 0.48
S1PR1 P21453 2/20 0.46
FFAR4 Q5NUL3 1/20 0.45

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
SCHEMBL1816201 0.87 NOTUM (0.56) NOTUMPDK2S1PR1
SCHEMBL4412651 0.82 NOTUM (0.63) NOTUMPDK2SERPINE1S1PR1
SCHEMBL25172425 0.80 NOTUM (0.60) NOTUMPDK2SERPINE1S1PR1
SCHEMBL3598011 0.79 ABHD6 (0.46) NOTUM
SCHEMBL640945 0.79 NOTUM (0.53) NOTUMPDK2SERPINE1FFAR4
SCHEMBL25209622 0.79 NOTUM (0.59) NOTUMPDK2SERPINE1
SCHEMBL641081 0.76 FFAR4 (0.55) NOTUMPDK2FFAR4
SCHEMBL15923406 0.75 IP6K1 (0.58) NOTUMSERPINE1
SCHEMBL2071701 0.75 NOTUM (0.83) NOTUMPDK2SERPINE1FFAR4
SCHEMBL2431606 0.74 HRH3 (0.52)

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-7951805-B2 Heterocyclic derivatives and their use as mediators of stearoyl-CoA desaturase XENON PHARMACEUTICALS INC. (CA) 2011-05-31 US disclosed