SCHEMBL9980979

SCHEMBL9980979

CC(C)(C)C1CC(N(Cc2ccc3ccc(=O)[nH]c3n2)C(=O)O)CCN1C(=O)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 3/20 0.31
DCUN1D1 Q96GG9 3/20 0.31
TRPV1 Q8NER1 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL4131965 0.84 KDM1A (0.35) UBE2MDCUN1D1TRPV1HTR2A
SCHEMBL9981736 0.81 ITGB3 (0.32) HTR2A
SCHEMBL9980967 0.76 HSD11B1 (0.38) UBE2MDCUN1D1HTR2A
SCHEMBL2799356 0.73 UBE2M (0.34) UBE2MDCUN1D1HTR2A
SCHEMBL2794499 0.71 UBE2M (0.46) UBE2MDCUN1D1
SCHEMBL2798210 0.71 LMNA (0.41) UBE2MDCUN1D1TRPV1
SCHEMBL2799018 0.71 AGTR2 (0.43) UBE2MDCUN1D1
SCHEMBL4142075 0.68 PARP1 (0.41) TRPV1
SCHEMBL4136018 0.63 HTR1A (0.34) HTR2A
SCHEMBL2966617 0.61 UBE2M (0.54) UBE2MDCUN1D1

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-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed