SCHEMBL7326408

SCHEMBL7326408

COc1ccccc1NC(=O)[C@H]1CCc2nc[nH]c2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.56
ADRA1D P25100 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
KDM4E B2RXH2 2/20 0.52
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
HTR3A P46098 2/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
SLC6A4 P31645 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48

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
SCHEMBL7328765 1.00 ADRA1A (0.56) ADRA1AADRA1DSMN1; SMN2KDM4EDDB1
SCHEMBL7328293 1.00 ADRA1A (0.56) ADRA1AADRA1DSMN1; SMN2KDM4EDDB1
Hydrochloric Acid SCHEMBL7326075 0.99 ADRA1D (0.55) ADRA1AADRA1DSMN1; SMN2KDM4EDDB1
Hydrochloric Acid SCHEMBL7331899 0.99 ADRA1D (0.55) ADRA1AADRA1DSMN1; SMN2KDM4EDDB1
Hydrochloric Acid SCHEMBL7324783 0.99 ADRA1D (0.55) ADRA1AADRA1DSMN1; SMN2KDM4EDDB1
Fumaric Acid SCHEMBL7330535 0.94 ADRA1A (0.50) ADRA1AADRA1DSMN1; SMN2KDM4EDDB1
SCHEMBL7326401 0.91 SMN1; SMN2 (0.55) ADRA1AADRA1DSMN1; SMN2KDM4EDDB1
SCHEMBL7328287 0.91 SMN1; SMN2 (0.55) ADRA1AADRA1DSMN1; SMN2KDM4EDDB1
SCHEMBL7326394 0.91 SMN1; SMN2 (0.55) ADRA1AADRA1DSMN1; SMN2KDM4EDDB1
Hydrochloric Acid SCHEMBL7331894 0.90 SMN1; SMN2 (0.54) ADRA1AADRA1DSMN1; SMN2KDM4EDDB1

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