SCHEMBL2226022

SCHEMBL2226022

O=C(NCCc1cnc(C(F)(F)F)[nH]1)[C@H]1CN(C(=O)O)CCN1C(=O)NC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.44
FNTB P49356 8/20 0.44
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 3/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
EPHX1 P07099 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PGGT1B P53609 1/20 0.36
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL13719556 0.89 FNTA (0.42) FNTAFNTBNPSR1POLBTSHR
SCHEMBL6215244 0.73 FNTA (0.40) FNTAFNTBPOLBTSHRALDH1A1
SCHEMBL7682332 0.62 FNTA (0.47) FNTAFNTBPOLBTSHRTDP1
SCHEMBL14688305 0.61 TACR1 (0.32)
SCHEMBL4593155 0.57 CHRM5 (0.53) POLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL2146121 0.56 EPHX2 (0.58) NPSR1ALDH1A1
SCHEMBL5950255 0.56 KDM4E (0.73) NPSR1POLBTSHRTDP1ALDH1A1
SCHEMBL6534174 0.56 KDM4E (0.73) NPSR1POLBTSHRTDP1ALDH1A1
SCHEMBL27979494 0.56 HTT (0.88) NPSR1POLBTSHRALDH1A1KDM4E
SCHEMBL20576295 0.56 ALDH1A1 (0.54) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523664-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP claimed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO claimed
EP-2523664-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed