SCHEMBL168194

SCHEMBL168194

Nc1c(CCNC(=O)O)cccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 2/20 0.43
EPHX2 P34913 3/20 0.40
MTNR1A P48039 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
PTGS2 P35354 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLQ O75417 1/20 0.37
CYP3A4 P08684 1/20 0.37
CD38 P28907 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL382068 0.84 CNR1 (0.60) CNR1POLBMAPTGAAEPHX2
SCHEMBL4440889 0.84 CNR1 (0.47) CNR1POLBMAPTGAAEPHX2
SCHEMBL5423903 0.77 POLB (0.42) CNR1POLBMAPTGAAEPHX2
SCHEMBL27151696 0.73 EPHX2 (0.54) POLBGAAEPHX2KDM4EALDH1A1
SCHEMBL23195320 0.73 CNR1 (0.58) CNR1POLBMAPTGAAEPHX2
SCHEMBL4598193 0.73 MTNR1A (0.46) CNR1MTNR1AKDM4EALDH1A1HPGD
SCHEMBL10493894 0.73 IDO1 (0.42) POLBKDM4EALDH1A1TDP1HDAC1
SCHEMBL7645348 0.73 IDO1 (0.42) POLBALDH1A1TDP1
SCHEMBL9861905 0.72 GABRA1 (0.45) POLBALDH1A1TDP1LMNAKMT2A
SCHEMBL456789 0.72 IDO1 (0.44) POLBKDM4EALDH1A1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619188-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-07-31 EP disclosed
WO-2012028644-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-08 WO disclosed