SCHEMBL7360473

SCHEMBL7360473

Nc1c(Cl)cc(C(=O)O[C@@H]2CN3CCC2CC3)c2c1CCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.49
TSHR P16473 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HTR4 Q13639 2/20 0.47
HTR1A P08908 1/20 0.47
ADRA2C P18825 1/20 0.47
ACHE P22303 1/20 0.47
PTGS1 P23219 1/20 0.47
ADRA1A P35348 1/20 0.47
HTR3A P46098 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL7359845 1.00 GLA (0.49) GLATSHRRXFP1HTR4HTR1A
SCHEMBL30036140 0.79 HTR3A (0.69) HTR4HTR1AADRA2CACHEPTGS1
SCHEMBL7365710 0.79 HTR3A (0.69) HTR4HTR1AADRA2CACHEPTGS1
SCHEMBL7434367 0.79 HTR3A (0.69) HTR4HTR1AADRA2CACHEPTGS1
Hydrochloric Acid SCHEMBL8786092 0.78 HTR3A (0.68) HTR4HTR1AADRA2CACHEPTGS1
SCHEMBL8497978 0.77 HTR4 (0.53) HTR4HTR1AADRA2CACHEPTGS1
SCHEMBL8497984 0.77 HTR4 (0.53) HTR4HTR1AADRA2CACHEPTGS1
SCHEMBL6670572 0.76 HTR3A (0.62) HTR4HTR1AADRA2CACHEPTGS1
SCHEMBL8499980 0.76 HTR4 (0.46) HTR4HTR1AADRA2CACHEPTGS1
SCHEMBL27360404 0.76 HTR4 (0.50) HTR4HTR1AADRA2CACHEPTGS1

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
EP-0766680-A1 SUBSTITUTED DIHYDROBENZOFURAN DERIVATIVES AS 5-HT 4 AGONISTS PHARMACIA & UPJOHN S.p.A. (IT) 1997-04-09 EP disclosed
WO-1996033186-A1 SUBSTITUTED DIHYDROBENZOFURAN DERIVATIVES AS 5-HT4 AGONISTS PHARMACIA & UPJOHN S.P.A. (IT) 1996-10-24 WO disclosed