SCHEMBL7436836

SCHEMBL7436836

CCC1Cc2c(N)c(Cl)cc(C(=O)O)c2O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.35
HTR4 Q13639 4/20 0.33
HTR3A P46098 2/20 0.33
HTR1A P08908 1/20 0.33
ADRA2C P18825 1/20 0.33
ACHE P22303 1/20 0.33
PTGS1 P23219 1/20 0.33
ADRA1A P35348 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HTR2C P28335 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7430275 0.82 PARP1 (0.49) MAOAKDM4E
SCHEMBL7355305 0.79 HTR4 (0.39) HTR4HTR3AHTR1AADRA2CACHE
Hydrochloric Acid SCHEMBL7361122 0.78 HTR4 (0.39) HTR4HTR3AHTR1AADRA2CACHE
Hydrochloric Acid SCHEMBL8799339 0.78 HTR3A (0.39) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL7360909 0.78 HTR4 (0.52) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL7365599 0.77 HTR4 (0.41) HTR4HTR3AHTR1AADRA2CACHE
Hydrochloric Acid SCHEMBL6776355 0.77 HTR2C (0.53) HTR4HTR3AHTR1AADRA2CACHE
Hydrochloric Acid SCHEMBL7363354 0.77 HTR4 (0.40) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL7326376 0.75 HSD11B1 (0.36) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL7396235 0.75 HTR4 (0.39) HTR4HTR3AHTR1AADRA2CACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5442077-A Benzo[B]Furancarboxamide derivatives, process for the preparation of same and use thereof for improving hypermotility SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1995-08-15 US disclosed
EP-0640602-A1 Benzo[b]furancarboxamide derivatives, process for their preparation and their use as gastrointestinal mobility-enhancing agents SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1995-03-01 EP disclosed