SCHEMBL9051218

SCHEMBL9051218

O=C(/C=C/C(=O)On1cnc2c1CCC(C(=O)N1CCc3ccccc31)C2)On1cnc2c1CCC(C(=O)N1CCc3ccccc31)C2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
LMNA P02545 3/20 0.45
MAPK1 P28482 2/20 0.45
MAPT P10636 2/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 3/20 0.42
USP2 O75604 2/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 5/20 0.42
CNR2 P34972 1/20 0.39
TFPI2 P48307 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX15 P16050 1/20 0.38
NR4A1 P22736 1/20 0.38

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
SCHEMBL9074193 0.81 NOTUM (0.41) CNR2
SCHEMBL7334149 0.76 PTGDR2 (0.44) MAPTHSD17B10KMT2AALDH1A1HPGD
SCHEMBL1023584 0.72 TSHR (0.59) TSHRLMNAMAPK1MAPTHSD17B10
SCHEMBL1023583 0.72 TSHR (0.59) TSHRLMNAMAPK1MAPTHSD17B10
Fumaric Acid SCHEMBL9051209 0.71 TSHR (0.52) TSHRLMNAMAPK1MAPTHSD17B10
SCHEMBL9052108 0.71 HTR3A (0.46) LMNAMAPTRAB9AKMT2AALDH1A1
SCHEMBL9052002 0.71 ALDH1A1 (0.36) LMNAMAPTHSD17B10RAB9AALDH1A1
SCHEMBL9338317 0.71 TSHR (0.57) TSHRLMNAMAPK1MAPTHSD17B10
Hydrochloric Acid SCHEMBL1023299 0.71 TSHR (0.57) TSHRLMNAMAPK1MAPTHSD17B10
Hydrochloric Acid SCHEMBL9050997 0.71 TSHR (0.57) TSHRLMNAMAPK1MAPTHSD17B10

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