SCHEMBL7327010

SCHEMBL7327010

CCOc1ccccc1NC(=O)C1CCc2nc[nH]c2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
MAPK1 P28482 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
POLB P06746 4/20 0.49
GAA P10253 2/20 0.48
HTR3A P46098 2/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
SLC6A4 P31645 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46

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
Fumaric Acid SCHEMBL7331898 0.94 SMN1; SMN2 (0.48) SMN1; SMN2MAPK1MEN1KMT2AALDH1A1
SCHEMBL7327002 0.92 SMN1; SMN2 (0.53) SMN1; SMN2MAPK1MEN1KMT2AALDH1A1
SCHEMBL7328765 0.89 ADRA1A (0.56) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL7328293 0.89 ADRA1A (0.56) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL7326408 0.89 ADRA1A (0.56) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL7326075 0.88 ADRA1D (0.55) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL7324783 0.88 ADRA1D (0.55) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL7331899 0.88 ADRA1D (0.55) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL7327902 0.88 BRD4 (0.47) SMN1; SMN2MAPK1MEN1KMT2AALDH1A1
Fumaric Acid SCHEMBL7331885 0.86 SMN1; SMN2 (0.48) SMN1; SMN2MAPK1MEN1KMT2AALDH1A1

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