SCHEMBL7327986

SCHEMBL7327986

Cc1ccccc1NC(=O)C1CCc2[nH]cnc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
LIMK2 P53671 1/20 0.46
GAA P10253 3/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 3/20 0.41
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

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
SCHEMBL7327993 0.91 HTR3A (0.50) L3MBTL1KDM4ETP53LIMK2GAA
SCHEMBL7324842 0.86 KDM4E (0.43) L3MBTL1KDM4EALDH1A1TDP1LMNA
SCHEMBL7325548 0.86 SMN1; SMN2 (0.45) L3MBTL1TP53GAAALDH1A1SMN1; SMN2
SCHEMBL7328287 0.85 SMN1; SMN2 (0.55) L3MBTL1KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL7326401 0.85 SMN1; SMN2 (0.55) L3MBTL1KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL7326394 0.85 SMN1; SMN2 (0.55) L3MBTL1KDM4EALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL7331894 0.84 SMN1; SMN2 (0.54) L3MBTL1KDM4EALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL7324768 0.84 SMN1; SMN2 (0.54) L3MBTL1KDM4EALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL7326067 0.84 SMN1; SMN2 (0.54) L3MBTL1KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL7327002 0.84 SMN1; SMN2 (0.53) GAAALDH1A1SMN1; SMN2LMNAMEN1

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