SCHEMBL8947376

SCHEMBL8947376

CN1[C@@H]2CCC[C@H]1C[C@@H](NC(=O)n1c(=O)[nH]c3ccccc31)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.64
HTR4 Q13639 2/20 0.64
TMEM97 Q5BJF2 1/20 0.55
SIGMAR1 Q99720 1/20 0.55

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
SCHEMBL7385540 1.00 HTR3A (0.64) HTR3AHTR4TMEM97SIGMAR1
Itasetron SCHEMBL1821834 0.95 HTR3A (0.70) HTR3AHTR4TMEM97SIGMAR1
Itasetron SCHEMBL62124 0.95 HTR3A (0.70) HTR3AHTR4TMEM97SIGMAR1
Itasetron SCHEMBL31406725 0.95 HTR3A (0.70) HTR3AHTR4TMEM97SIGMAR1
Itasetron SCHEMBL62123 0.95 HTR3A (0.70) HTR3AHTR4TMEM97SIGMAR1
Itasetron SCHEMBL18311459 0.95 HTR3A (0.70) HTR3AHTR4TMEM97SIGMAR1
Itasetron SCHEMBL7342367 0.94 HTR3A (0.69) HTR3AHTR4TMEM97SIGMAR1
Itasetron SCHEMBL4828089 0.94 HTR3A (0.69) HTR3AHTR4TMEM97SIGMAR1
Itasetron SCHEMBL4828092 0.94 HTR3A (0.69) HTR3AHTR4TMEM97SIGMAR1
Itasetron SCHEMBL8720455 0.93 HTR3A (0.67) HTR3AHTR4TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0309423-B1 New benzimidazoline-2-oxo-1-carboxylic acid derivatives useful as 5-ht receptor antagonists BOEHRINGER INGELHEIM ITALIA (IT) 1994-06-15 EP claimed
EP-0309423-A2 New benzimidazoline-2-oxo-1-carboxylic acid derivatives useful as 5-ht receptor antagonists BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1989-03-29 EP claimed
US-5552408-A Benzimidazoline-2-oxo-1-carboxylic acid derivatives useful as 5-ht receptor antagonists BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1996-09-03 US disclosed
US-5358954-A Antiserotonine agent, antiemetic, gastrointestinal disorders BOEHRINGER INGELHEIM ITALIA (IT) 1994-10-25 US disclosed
EP-0309423-B1 New benzimidazoline-2-oxo-1-carboxylic acid derivatives useful as 5-ht receptor antagonists BOEHRINGER INGELHEIM ITALIA (IT) 1994-06-15 EP disclosed
US-5223511-A Benzimidazoline-2-oxo-1-carboxylic acid compounds useful as 5-HT receptor antagonists BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1993-06-29 US disclosed
EP-0309423-A2 New benzimidazoline-2-oxo-1-carboxylic acid derivatives useful as 5-ht receptor antagonists BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1989-03-29 EP disclosed