SCHEMBL5371899

SCHEMBL5371899

O=[C]c1cccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.52
NPY2R P49146 2/20 0.49
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GBA1 P04062 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR2B P41595 1/20 0.46
MAPK14 Q16539 1/20 0.46
AKR1C3 P42330 1/20 0.46
USP2 O75604 1/20 0.45
SLC6A9 P48067 1/20 0.44
MGLL Q99685 1/20 0.43

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
SCHEMBL27722326 0.76 P2RX7 (0.53) SCDNPY2RTSHRSMN1; SMN2GBA1
SCHEMBL4262448 0.73 CYP2C9 (0.63) SCDNPY2RTSHRGBA1CYP2C9
SCHEMBL13983799 0.72 SCD (0.62) SCDNPY2RGBA1CYP2C9CYP2C19
SCHEMBL27701741 0.72 SCD (0.59) SCDNPY2RTSHRGBA1CYP2C9
SCHEMBL12894564 0.72 SCD (0.59) SCDNPY2RGBA1CYP2C9CYP2C19
SCHEMBL14172993 0.72 SCD (0.59) SCDNPY2RGBA1CYP2C9CYP2C19
SCHEMBL10304326 0.72 CYP2C9 (0.60) SCDTSHRGBA1CYP2C9CYP2C19
SCHEMBL27701738 0.71 CYP2C9 (0.60) SCDNPY2RTSHRGBA1CYP2C9
SCHEMBL4910844 0.71 SCD (0.57) SCDTSHRSMN1; SMN2GBA1USP2
SCHEMBL1781033 0.70 SCD (0.52) SCDNPY2RTSHRSMN1; SMN2GBA1

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-7189739-B2 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. (US) 2007-03-13 US disclosed