SCHEMBL5210901

SCHEMBL5210901

Cn1ccnc(N2CCC(C(=O)Cc3ccccc3C(F)(F)F)CC2)c1=O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.61
RBP4 P02753 1/20 0.50
EPHX2 P34913 13/20 0.45
CYP2C9 P11712 10/20 0.45
TRPV1 Q8NER1 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL5213158 0.83 SCD (0.45) SCDKDM4EALDH1A1MAPT
SCHEMBL5213284 0.82 SCD (0.51) SCDALDH1A1MAPT
SCHEMBL5216402 0.80 SCD (0.47) SCDTRPV1KDM4EALDH1A1SIGMAR1
SCHEMBL5212488 0.79 SCD (0.48) SCDKDM4EALDH1A1
SCHEMBL5214168 0.78 SCD (0.41) SCDKDM4EALDH1A1MAPT
SCHEMBL5213811 0.77 SCD (0.76) SCDRBP4
SCHEMBL12285902 0.76 SCD (1.00) SCDRBP4
SCHEMBL2564090 0.74 SCD (0.58) SCDRBP4
SCHEMBL5215981 0.73 SCD (0.37) SCDTRPV1KDM4EALDH1A1SIGMAR1
SCHEMBL5215986 0.73 SCD (0.37) SCDTRPV1KDM4EALDH1A1SIGMAR1

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
EP-1484327-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2007-08-01 EP claimed