SCHEMBL7327993

SCHEMBL7327993

Cc1ccccc1NC(=O)C1CCc2nc[nH]c2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
SLC6A4 P31645 1/20 0.50
OPRK1 P41145 1/20 0.50
HTR2B P41595 1/20 0.50
KCNH2 Q12809 1/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
LIMK2 P53671 1/20 0.46
ADRA1A P35348 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
ADRA1D P25100 1/20 0.42

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
SCHEMBL7327986 0.91 L3MBTL1 (0.47) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL7324856 0.86 HTR3A (0.51) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL7325553 0.86 HTR3A (0.47) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL7326408 0.85 ADRA1A (0.56) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL7328293 0.85 ADRA1A (0.56) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL7328765 0.85 ADRA1A (0.56) HTR3AADRA2AADRA2BADRA2CSLC6A4
Hydrochloric Acid SCHEMBL7331899 0.84 ADRA1D (0.55) HTR3AADRA2AADRA2BADRA2CSLC6A4
Hydrochloric Acid SCHEMBL7324783 0.84 ADRA1D (0.55) HTR3AADRA2AADRA2BADRA2CSLC6A4
Hydrochloric Acid SCHEMBL7326075 0.84 ADRA1D (0.55) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL7327010 0.84 SMN1; SMN2 (0.53) HTR3AADRA2AADRA2BADRA2CSLC6A4

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