SCHEMBL11535532

SCHEMBL11535532

C1=CN2CCN=C2C(OCc2ccccc2)=C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LTA4H P09960 1/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL11243618 0.74 LMNA (0.32) MAOAMAOBMAPTRAB9AGAA
SCHEMBL30929883 0.69 CYP4F2 (0.34) MAPTL3MBTL1LTA4H
SCHEMBL624723 0.66 APOBEC3A (0.44) RAB9AL3MBTL1HRH4
SCHEMBL638679 0.66 MAOA (0.35) MAOAMAOBHTT
SCHEMBL11541032 0.64 GAA (0.37) MAOAMAOBMAPTRAB9AGAA
SCHEMBL2606658 0.63 KDM4E (0.51)
SCHEMBL27280849 0.61 L3MBTL1 (0.47) MAOAMAOBMAPTRAB9AGAA
SCHEMBL23070558 0.60 HTT (0.40) MAOBMAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL28136518 0.60 ALDH1A1 (0.40) MAOAMAOBMAPTRAB9AGAA
SCHEMBL23181355 0.59 MAOB (0.56) MAOAMAOBMAPTRAB9AGAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4163745-A ANTIDIABETIC, HYPOGLYCEMIC PFIZER INC. (US) 1979-08-07 US disclosed
US-4141898-A Imidazo pyridinium quaternary salts as hypoglycemic agents PFIZER INC. (US) 1979-02-27 US disclosed
US-4129567-A IMIDAZOPYRIDINES AND ISOB IDINE PFIZER INC. (US) 1978-12-12 US disclosed
US-4097598-A Quaternary salts as hypoglycemic agents PFIZER INC. (US) 1978-06-27 US disclosed
US-4093616-A PYRROLO(1,2-A)PYRAZINIUM, PYRAZOLO(1,5-A)PYRIDINIUM, 1H-IMIDAZO(2,1-A)ISOQUINOLINIUM, OR IMIDAZO(5,1-A)ISOQUINOLINIUM SALTS PFIZER INC. (US) 1978-06-06 US disclosed
US-4044015-A Imidazopyridinium compounds as hypoglycemic agents PFIZER INC. (US) 1977-08-23 US disclosed