SCHEMBL16401892

SCHEMBL16401892

COc1cccc(-c2[nH]nnc2COC(=O)NC2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
KMT2A Q03164 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
TSHR P16473 2/20 0.48
MAPK10 P53779 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
FAAH O00519 2/20 0.47
EPHX1 P07099 1/20 0.47

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
SCHEMBL16401477 0.92 POLB (0.49) POLBKMT2ANPC1RAB9AMEN1
SCHEMBL16401693 0.86 EPHX1 (0.60) KMT2ARAB9AMEN1ALDH1A1TSHR
SCHEMBL16401549 0.77 EPHX1 (0.54) RAB9AALDH1A1SMN1; SMN2FAAHEPHX1
SCHEMBL16401566 0.75 EPHX1 (0.44) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL16401700 0.74 EPHX1 (0.55) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL16401828 0.73 EPHX1 (0.50) KMT2ARAB9AMEN1MAPTALDH1A1
SCHEMBL16401779 0.73 EPHX1 (0.54) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL16401635 0.73 EPHX1 (0.49) POLBKMT2ANPC1RAB9AMEN1
SCHEMBL16401891 0.73 CA9 (0.50) POLBKMT2ANPC1RAB9AMEN1
SCHEMBL16401896 0.72 EPHX1 (0.47) POLBKMT2ANPC1RAB9AMEN1

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
WO-2015007613-A1 O-ALKYL TRIAZOLYL CARBAMATES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-01-22 WO disclosed