SCHEMBL18166367

SCHEMBL18166367

Cc1ccc(-c2cc(OC(=O)NCc3ccccn3)cc(-n3nnnc3C(C)C)c2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
PKM P14618 2/20 0.39
FAAH O00519 1/20 0.39
MAPT P10636 1/20 0.38
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL18166274 0.88 P2RX3 (0.49) FAAHP2RX3P2RX2
SCHEMBL10244650 0.88 P2RX3 (0.48) MAOBPKMMAPTRAB9ANPC1
SCHEMBL18166455 0.87 FAAH (0.42) FAAHSMN1; SMN2
SCHEMBL18166296 0.85 EPHX1 (0.45) PKMFAAHMAPTRAB9ANPC1
SCHEMBL18166269 0.85 P2RX3 (0.38) PKMSMN1; SMN2P2RX3P2RX2
SCHEMBL18166390 0.82 P2RX3 (0.50) FAAHP2RX3P2RX2
SCHEMBL18036393 0.81 P2RX3 (0.43) FAAHP2RX3P2RX2
SCHEMBL18166287 0.81 P2RX3 (0.47) FAAHP2RX3P2RX2
SCHEMBL18166281 0.80 P2RX3 (0.41) FAAHP2RX3P2RX2
SCHEMBL18036425 0.80 P2RX3 (0.35) FAAHP2RX3P2RX2

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
EP-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP claimed