SCHEMBL8869280

SCHEMBL8869280

CCCNC(=O)Nc1ccc(CCO)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
S1PR1 P21453 1/20 0.58
CNR1 P21554 8/20 0.58
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
FPR2 P25090 3/20 0.51
EPHX1 P07099 2/20 0.50
GHSR Q92847 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL8866867 0.91 S1PR1 (0.63) KMT2AS1PR1CNR1MAPTLMNA
SCHEMBL6571730 0.89 S1PR1 (0.65) KMT2AS1PR1CNR1MAPTLMNA
SCHEMBL8869271 0.87 MEN1 (0.59) MEN1KMT2AS1PR1CNR1MAPT
SCHEMBL8868038 0.87 CNR1 (0.53) S1PR1CNR1ALDH1A1CYP1A2CYP3A4
SCHEMBL8866696 0.84 CNR1 (0.62) CNR1FPR2EPHX1KDM4E
SCHEMBL18862116 0.83 S1PR1 (0.65) MEN1KMT2AS1PR1CNR1MAPT
SCHEMBL25068626 0.83 MAPT (0.57) MEN1KMT2AS1PR1MAPTLMNA
SCHEMBL14052828 0.82 HRH3 (0.61) MEN1KMT2ACNR1MAPTEPHX1
SCHEMBL13926075 0.81 MEN1 (0.59) MEN1KMT2AS1PR1CNR1MAPT
SCHEMBL8867177 0.80 CNR1 (0.57) CNR1FPR2KDM4E

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-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed