SCHEMBL8947426

SCHEMBL8947426

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.74
HTR3A P46098 2/20 0.74
TMEM97 Q5BJF2 1/20 0.74
SIGMAR1 Q99720 1/20 0.74
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 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
SCHEMBL7340846 1.00 HTR4 (0.74) HTR4HTR3ATMEM97SIGMAR1ALDH1A1
SCHEMBL7387363 0.95 HTR3A (0.68) HTR4HTR3ATMEM97SIGMAR1
SCHEMBL7387366 0.95 HTR3A (0.68) HTR4HTR3ATMEM97SIGMAR1
SCHEMBL8947433 0.86 HTR4 (0.73) HTR4HTR3ATMEM97SIGMAR1
SCHEMBL30428794 0.86 HTR4 (0.73) HTR4HTR3ATMEM97SIGMAR1
SCHEMBL30139058 0.86 HTR4 (0.73) HTR4HTR3ATMEM97SIGMAR1
SCHEMBL3096608 0.86 HTR4 (0.73) HTR4HTR3ATMEM97SIGMAR1
Hydrochloric Acid SCHEMBL7637431 0.85 HTR4 (0.72) HTR4HTR3ATMEM97SIGMAR1
SCHEMBL1041383 0.85 HTR4 (1.00) HTR4HTR3ATMEM97SIGMAR1
Hydrochloric Acid SCHEMBL7634797 0.85 HTR4 (0.72) HTR4HTR3ATMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-5358954-A Antiserotonine agent, antiemetic, gastrointestinal disorders BOEHRINGER INGELHEIM ITALIA (IT) 1994-10-25 US claimed
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 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