SCHEMBL8938121

SCHEMBL8938121

O=C(Cc1ccccc1)NOCCN(Cc1ccccc1)CC(O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 2/20 0.51
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 1/20 0.43
PNMT P11086 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
XBP1 P17861 1/20 0.41
ALOX12 P18054 1/20 0.41
CNR2 P34972 1/20 0.41
BCHE P06276 1/20 0.40
EPHX1 P07099 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TACR1 P25103 1/20 0.40
ACP3 P15309 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
SCHEMBL5347613 0.83 NR1H3 (0.64) NR1H3MEN1KMT2AMAPTPNMT
SCHEMBL5347609 0.83 NR1H3 (0.64) NR1H3MEN1KMT2AMAPTPNMT
SCHEMBL8938115 0.83 NR1H3 (0.51) NR1H3MEN1KMT2APNMTKDM4E
Hydrochloric Acid SCHEMBL8938103 0.79 ALOX15 (0.48) MEN1KMT2AMAPTPNMTKDM4E
SCHEMBL6539998 0.73 RORC (0.42) NR1H3MEN1KMT2AMAPTKDM4E
SCHEMBL6540005 0.73 RORC (0.42) NR1H3MEN1KMT2AMAPTKDM4E
SCHEMBL22817596 0.72 CNR2 (0.58) MEN1KMT2APNMTKDM4EALDH1A1
SCHEMBL22817597 0.72 CNR2 (0.58) MEN1KMT2APNMTKDM4EALDH1A1
SCHEMBL22817603 0.72 CNR2 (0.58) MEN1KMT2APNMTKDM4EALDH1A1
SCHEMBL30034816 0.72 CNR2 (0.58) MEN1KMT2APNMTKDM4EALDH1A1

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-5502078-A Chemical compounds ZENECA LIMITED (GB) 1996-03-26 US disclosed