SCHEMBL8529329

SCHEMBL8529329

O=C(Nc1cccnc1)N1CCc2cc([N+](=O)[O-])ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 18/20 1.00
HTR2A P28223 15/20 0.70

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 SCHEMBL8528788 0.99 HTR2C (0.98) HTR2CHTR2A
SCHEMBL3036883 0.87 HTR2C (0.76) HTR2CHTR2A
SCHEMBL8527508 0.82 HTR2C (1.00) HTR2CHTR2A
SCHEMBL8526274 0.82 HTR2C (0.76) HTR2CHTR2A
SCHEMBL8529483 0.82 HTR2C (0.76) HTR2CHTR2A
SCHEMBL6582480 0.81 HTR2C (0.78) HTR2CHTR2A
SCHEMBL8526803 0.81 HTR2C (1.00) HTR2CHTR2A
SCHEMBL9035888 0.81 HTR2C (1.00) HTR2CHTR2A
SCHEMBL5751582 0.80 HTR2C (0.77) HTR2CHTR2A
SCHEMBL8527704 0.80 HTR2C (1.00) HTR2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5834494-A SEROTONIN 5HT2B/2C RECEPTOR ANTAGONISTS; CNS NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; IRRITABLE BOWEL SYNDROME SMITHKLINE BEECHAM P.L.C. (GB) 1998-11-10 US claimed
EP-0707581-B1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-26 EP claimed
US-5834494-A SEROTONIN 5HT2B/2C RECEPTOR ANTAGONISTS; CNS NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; IRRITABLE BOWEL SYNDROME SMITHKLINE BEECHAM P.L.C. (GB) 1998-11-10 US disclosed
EP-0707581-B1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-26 EP disclosed