SCHEMBL7301996

SCHEMBL7301996

Nc1c(Cl)cc(C(=O)NC2CCN3CCCC2C3)c2c1CCO2

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.62
HTR3E A5X5Y0 3/20 0.62
HTR3B O95264 3/20 0.62
HTR3D Q70Z44 3/20 0.62
HTR3C Q8WXA8 3/20 0.62
NPSR1 Q6W5P4 1/20 0.58
HTR4 Q13639 2/20 0.53
HTR1A P08908 1/20 0.53
ADRA2C P18825 1/20 0.53
ACHE P22303 1/20 0.53
PTGS1 P23219 1/20 0.53
ADRA1A P35348 1/20 0.53
KCNH2 Q12809 1/20 0.53

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
Hydrochloric Acid SCHEMBL7312237 0.99 HTR3A (0.61) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6670572 0.89 HTR3A (0.62) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL30036140 0.88 HTR3A (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7434367 0.88 HTR3A (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7365710 0.88 HTR3A (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL8786092 0.87 HTR3A (0.68) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7301254 0.79 HTR4 (0.57) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL7311202 0.78 HTR4 (0.56) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8828756 0.77 HTR4 (0.60) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8828749 0.77 HTR4 (0.60) HTR3AHTR3EHTR3BHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0493031-B1 Dihydrobenzofuran carboxamides and process for their preparation PHARMACIA SPA (IT) 1995-08-30 EP claimed
EP-0493031-A1 Dihydrobenzofuran carboxamides and process for their preparation PHARMACIA S.p.A. (IT) 1992-07-01 EP claimed
EP-0496064-B1 Process for the preparation of substituted benzofuran derivatives PHARMACIA & UPJOHN SPA (IT) 1997-04-23 EP disclosed
US-5459161-A Cognition activators FARMITALIA CARLO ERBA S.R.L. (IT) 1995-10-17 US disclosed
EP-0493031-B1 Dihydrobenzofuran carboxamides and process for their preparation PHARMACIA SPA (IT) 1995-08-30 EP disclosed
US-5362740-A CNS, analgesics FARMITALIA CARLO ERBA S.R.L. (IT) 1994-11-08 US disclosed
EP-0496064-A1 Process for the preparation of substituted benzofuran derivatives PHARMACIA S.p.A. (IT) 1992-07-29 EP disclosed
WO-1992012147-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED BENZOFURAN DERIVATIVES FARMITALIA CARLO ERBA S.R.L. (IT) 1992-07-23 WO disclosed
EP-0493031-A1 Dihydrobenzofuran carboxamides and process for their preparation PHARMACIA S.p.A. (IT) 1992-07-01 EP disclosed