SCHEMBL8314714

SCHEMBL8314714

CCOC(=O)Oc1ccc(C=CC(=O)NC2CCCNC(=O)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PTGS2 P35354 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.37
MAOB P27338 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
SCHEMBL8311410 0.88 TAS1R3 (0.47) CYP1A2RAB9ANPC1KMT2ALMNA
SCHEMBL8317110 0.86 MAPT (0.43) CYP1A2RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL8313214 0.86 TP53 (0.47) RAB9AALDH1A1LMNAMAPTTP53
SCHEMBL8317248 0.85 PTGS2 (0.52) CYP1A2RAB9ASMN1; SMN2ALDH1A1PTGS2
SCHEMBL8313443 0.83 ALDH1A1 (0.54) CYP1A2RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL8313869 0.83 RAB9A (0.42) CYP1A2RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL8313931 0.82 RAB9A (0.45) CYP1A2RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8313640 0.79 POLB (0.54) CYP1A2RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL8315616 0.79 MAPT (0.52) CYP1A2RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8310460 0.79 SMN1; SMN2 (0.47) CYP1A2RAB9ANPC1SMN1; SMN2ALDH1A1

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-0891332-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1999-01-20 EP disclosed
WO-1997036871-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1997-10-09 WO disclosed