SCHEMBL7302570

SCHEMBL7302570

CN1[C@@H]2CCC[C@H]1C[C@@H](NC(=O)c1cc(Cl)c(N)c3c1OCC3)C2

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 4/20 0.61
HTR3A P46098 2/20 0.61
HTR1A P08908 1/20 0.61
ADRA2C P18825 1/20 0.61
ACHE P22303 1/20 0.61
PTGS1 P23219 1/20 0.61
ADRA1A P35348 1/20 0.61
KCNH2 Q12809 1/20 0.61
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51

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
SCHEMBL7302326 1.00 HTR4 (0.61) HTR4HTR3AHTR1AADRA2CACHE
Hydrochloric Acid SCHEMBL7377307 0.99 HTR4 (0.61) HTR4HTR3AHTR1AADRA2CACHE
Hydrochloric Acid SCHEMBL7377304 0.99 HTR4 (0.61) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL7308214 0.96 HTR4 (0.64) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL7308206 0.96 HTR4 (0.64) HTR4HTR3AHTR1AADRA2CACHE
Hydrochloric Acid SCHEMBL7311562 0.95 HTR4 (0.62) HTR4HTR3AHTR1AADRA2CACHE
Hydrochloric Acid SCHEMBL7311567 0.95 HTR4 (0.62) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL7304699 0.83 HTR4 (0.59) HTR4HTR3AHTR1AADRA2CACHE
Hydrochloric Acid SCHEMBL7311371 0.83 HTR4 (0.58) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL7414248 0.79 HTR3A (0.52) HTR4HTR3AKCNH2

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-0493031-B1 Dihydrobenzofuran carboxamides and process for their preparation PHARMACIA SPA (IT) 1995-08-30 EP claimed
US-5362740-A CNS, analgesics FARMITALIA CARLO ERBA S.R.L. (IT) 1994-11-08 US claimed
EP-0493031-A1 Dihydrobenzofuran carboxamides and process for their preparation PHARMACIA S.p.A. (IT) 1992-07-01 EP claimed