SCHEMBL7387366

SCHEMBL7387366

CN1C2CCCC1CC(NC(=O)n1c(=O)n(C)c3ccccc31)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.68
HTR4 Q13639 3/20 0.68
TMEM97 Q5BJF2 1/20 0.68
SIGMAR1 Q99720 1/20 0.68
HTR3E A5X5Y0 2/20 0.53
HTR3B O95264 2/20 0.53
HTR3D Q70Z44 2/20 0.53
HTR3C Q8WXA8 2/20 0.53
SLC22A2 O15244 1/20 0.53
CHRNB2 P17787 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA4 P43681 1/20 0.53
KCNH2 Q12809 1/20 0.53
SLC47A1 Q96FL8 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
SCHEMBL7387363 1.00 HTR3A (0.68) HTR3AHTR4TMEM97SIGMAR1HTR3E
SCHEMBL8947426 0.95 HTR4 (0.74) HTR3AHTR4TMEM97SIGMAR1
SCHEMBL7340846 0.95 HTR4 (0.74) HTR3AHTR4TMEM97SIGMAR1
SCHEMBL7389967 0.86 HTR4 (0.91) HTR3AHTR4TMEM97SIGMAR1HTR3E
SCHEMBL7389966 0.86 HTR4 (0.91) HTR3AHTR4TMEM97SIGMAR1HTR3E
SCHEMBL8947433 0.82 HTR4 (0.73) HTR3AHTR4TMEM97SIGMAR1
SCHEMBL30428794 0.82 HTR4 (0.73) HTR3AHTR4TMEM97SIGMAR1
SCHEMBL3096608 0.82 HTR4 (0.73) HTR3AHTR4TMEM97SIGMAR1
SCHEMBL30139058 0.82 HTR4 (0.73) HTR3AHTR4TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL7634797 0.81 HTR4 (0.72) 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
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-0523013-A2 Use of benzimidazoline-2-oxo-1-carboxylic acid derivatives in the treatment of organic mental diseases BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1993-01-13 EP 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