SCHEMBL4430738

SCHEMBL4430738

O=C(C(I)=Cc1ccc(C(F)(F)F)nc1)c1cccc(OC(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.43
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 2/20 0.38
RECQL P46063 1/20 0.38
DRD1 P21728 1/20 0.37
KMT2A Q03164 3/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 2/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
GRM5 P41594 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
SCHEMBL4432129 0.90 MRGPRX4 (0.43) MRGPRX4RAB9ANPC1KMT2AMEN1
SCHEMBL3729438 0.81 NPC1 (0.50) MRGPRX4RAB9ANPC1KMT2ALMNA
SCHEMBL3735490 0.74 MRGPRX4 (0.47) MRGPRX4RAB9ANPC1TDP1KDM4E
SCHEMBL3729435 0.72 MAOB (0.47) RAB9ANPC1LMNAMAPTNPSR1
SCHEMBL3735487 0.70 MAOB (0.51) MRGPRX4RAB9ANPC1KMT2ALMNA
SCHEMBL4432452 0.67 P2RX7 (0.40) MRGPRX4KMT2ALMNAMAPTNPSR1
SCHEMBL3789100 0.64 MRGPRX4 (0.41) MRGPRX4RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3747705 0.64 MRGPRX4 (0.47) MRGPRX4TDP1MAPTALDH1A1
SCHEMBL2134167 0.63 HTR2C (0.56)
SCHEMBL30744738 0.63 MRGPRX4 (0.63) MRGPRX4RAB9ANPC1TDP1KDM4E

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-2114867-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO disclosed