SCHEMBL7324842

SCHEMBL7324842

CC(=O)c1ccccc1NC(=O)C1CCc2[nH]cnc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR3A P46098 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A4 P31645 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
CNR2 P34972 1/20 0.41
RXFP1 Q9HBX9 9/20 0.40

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
SCHEMBL7324856 0.91 HTR3A (0.51) KDM4ELMNAALDH1A1HPGDNPSR1
SCHEMBL7327986 0.86 L3MBTL1 (0.47) KDM4ELMNAALDH1A1HTR3AADRA2A
Fumaric Acid SCHEMBL7324504 0.86 HTR3A (0.46) KDM4ELMNAALDH1A1HPGDNPSR1
SCHEMBL7325548 0.84 SMN1; SMN2 (0.45) LMNAALDH1A1RXFP1L3MBTL1
Fumaric Acid SCHEMBL7323992 0.84 KDM4E (0.51) KDM4ELMNAALDH1A1HPGDNPSR1
SCHEMBL7326394 0.83 SMN1; SMN2 (0.55) KDM4ELMNAALDH1A1HPGDL3MBTL1
SCHEMBL7328287 0.83 SMN1; SMN2 (0.55) KDM4ELMNAALDH1A1HPGDL3MBTL1
SCHEMBL7326401 0.83 SMN1; SMN2 (0.55) KDM4ELMNAALDH1A1HPGDL3MBTL1
Hydrochloric Acid SCHEMBL7324768 0.83 SMN1; SMN2 (0.54) KDM4ELMNAALDH1A1HPGDL3MBTL1
Hydrochloric Acid SCHEMBL7331894 0.83 SMN1; SMN2 (0.54) KDM4ELMNAALDH1A1HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0376624-B1 4,5,6,7-Tetrahydrobenzimidazole derivatives and their preparation YAMANOUCHI PHARMA CO LTD (JP) 1994-09-14 EP disclosed
US-4977175-A GASTROINTESTINAL DISORDERS, ANTIEMETICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-12-11 US disclosed
EP-0376624-A1 4,5,6,7-Tetrahydrobenzimidazole derivatives and their preparation YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1990-07-04 EP disclosed