SCHEMBL9836558

SCHEMBL9836558

CNC(=O)N(C)C1Oc2ccccc2Cc2cccnc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 2/20 0.33
TSHR P16473 2/20 0.32
HTT P42858 2/20 0.32
P2RX7 Q99572 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 2/20 0.31
ABCC4 O15439 1/20 0.31
PTGS1 P23219 1/20 0.31
LTA4H P09960 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31

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
SCHEMBL9836747 0.78 GAA (0.36) MEN1KMT2AGAATSHRHTT
SCHEMBL9837005 0.71 MAOA (0.41) MEN1KMT2AHTTP2RX7SMN1; SMN2
SCHEMBL9836832 0.69 ALDH1A1 (0.34) GAATSHRHTTP2RX7L3MBTL1
SCHEMBL9835181 0.69 MAOA (0.41) TSHRALDH1A1CHRM2CHRM1
SCHEMBL9837246 0.69 MAOA (0.41) LTA4H
SCHEMBL9836638 0.68 CYP2C19 (0.41) MEN1KMT2AGAATSHRHPGD
SCHEMBL9836246 0.68 MTNR1A (0.40) GAATSHRHTTP2RX7L3MBTL1
Diethylamine SCHEMBL9836584 0.68 HTT (0.37) MEN1KMT2AGAATSHRHTT
SCHEMBL9836548 0.67 LMNA (0.35) MEN1KMT2AP2RX7SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL9835668 0.67 MAOA (0.40) ALDH1A1

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
EP-0129879-B1 A [1] benzepino(3,4-b)pyridine derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-09-11 EP claimed
US-4547496-A Antiulcer [1] benzepino[3,4-b]pyridine and compositions KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-10-15 US claimed
EP-0129879-A2 A [1] benzepino(3,4-b)pyridine derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-01-02 EP claimed
EP-0129879-B1 A [1] benzepino(3,4-b)pyridine derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-09-11 EP disclosed
US-4547496-A Antiulcer [1] benzepino[3,4-b]pyridine and compositions KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-10-15 US disclosed
EP-0129879-A2 A [1] benzepino(3,4-b)pyridine derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-01-02 EP disclosed