SCHEMBL9049321

SCHEMBL9049321

CCn1c2ccccc2c2cc(NC(=O)C3CCc4[nH]cnc4C3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.52
REV1 Q9UBZ9 1/20 0.52
MAPT P10636 11/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 9/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
NPY5R Q15761 5/20 0.48
HPGD P15428 3/20 0.48
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL9049327 0.93 HTR3A (0.54) NPSR1REV1MAPTL3MBTL1KDM4E
SCHEMBL6851321 0.77 HPGD (0.48) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL6756467 0.75 MAPT (0.64) NPSR1REV1MAPTL3MBTL1KDM4E
SCHEMBL7333785 0.72 MMP8 (0.47) NPSR1MAPTMEN1KMT2ALMNA
Fumaric Acid SCHEMBL7334141 0.72 HPGD (0.43) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL13840442 0.72 MAPT (0.62) NPSR1REV1MAPTL3MBTL1KDM4E
SCHEMBL7327002 0.71 SMN1; SMN2 (0.53) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL9050448 0.71 TRPV1 (0.47) NPSR1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL7327986 0.71 L3MBTL1 (0.47) L3MBTL1KDM4EMEN1KMT2ALMNA
SCHEMBL5842465 0.71 NPSR1 (0.56) NPSR1REV1MAPTL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0381422-B1 Tetrahydrobenzimidazole derivatives YAMANOUCHI PHARMA CO LTD (JP) 1996-10-23 EP disclosed
US-5496942-A 5-HT3-RECEPTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-03-05 US disclosed
US-5344927-A 5-HT3 antagonist YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US disclosed
EP-0381422-A1 Tetrahydrobenzimidazole derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1990-08-08 EP disclosed