SCHEMBL27757136

SCHEMBL27757136

O=C(C(COCc1ccccc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(COCc1ccccc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
MAPT P10636 5/20 0.51
HTT P42858 4/20 0.51
HPGD P15428 1/20 0.50
KDM4E B2RXH2 3/20 0.48
SMO Q99835 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TGM2 P21980 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
HSD11B1 P28845 1/20 0.46
HSD11B2 P80365 1/20 0.46
GAA P10253 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
SCHEMBL27756943 0.84 TSHR (0.50) SMN1; SMN2MAPTHPGDCHRM2ALDH1A1
SCHEMBL27757137 0.84 SMO (0.48) LMNASMN1; SMN2MAPTHTTHPGD
SCHEMBL27736435 0.82 ME2 (0.42) MAPTHTTSMOALDH1A1KMT2A
SCHEMBL1904861 0.81 SMN1; SMN2 (0.60) LMNASMN1; SMN2MAPTHTTHPGD
SCHEMBL27757116 0.79 GRM5 (0.46) LMNASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL27736433 0.78 MEN1 (0.47) MEN1KMT2AGAA
SCHEMBL27736436 0.77 TSHR (0.62) LMNASMN1; SMN2MAPTHTTKDM4E
SCHEMBL1706076 0.76 SMN1; SMN2 (0.57) LMNASMN1; SMN2MAPTHTTHPGD
SCHEMBL27757123 0.75 TGM2 (0.44) HTTTGM2ALDH1A1MEN1KMT2A
SCHEMBL27756961 0.74 KMT2A (0.65) LMNASMN1; SMN2MAPTKDM4EL3MBTL1

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
CN-101405266-A Piperazines and piperidines as mGlur5 potentiators ASTRAZENECA AB (SE) 2009-04-08 CN claimed