SCHEMBL16401477

SCHEMBL16401477

COc1cccc(-c2[nH]nnc2CCOC(=O)NC2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
KMT2A Q03164 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 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

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
SCHEMBL16401892 0.92 POLB (0.49) POLBKMT2ANPC1RAB9AMEN1
SCHEMBL16401549 0.86 EPHX1 (0.54) RAB9AALDH1A1SMN1; SMN2FAAH
SCHEMBL16401693 0.77 EPHX1 (0.60) KMT2ARAB9AMEN1ALDH1A1TSHR
SCHEMBL16401475 0.75 CYP1A2 (0.47) POLBKMT2ANPC1RAB9AMEN1
SCHEMBL16401739 0.75 EPHX1 (0.48) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL16401885 0.73 POLB (0.50) POLBKMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL16401909 0.72 EPHX1 (0.45) KMT2ARAB9AMEN1MAPTALDH1A1
SCHEMBL16401566 0.69 EPHX1 (0.44) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL16401779 0.69 EPHX1 (0.54) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL16401891 0.69 CA9 (0.50) 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