SCHEMBL15911370

SCHEMBL15911370

CCc1nc2c(C)cc(C)nc2n1Cc1cccc2nc([Na])ccc12

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Benzoic Acid SCHEMBL614423 0.92
SCHEMBL5278917 0.78
SCHEMBL9133345 0.77 GPR4 (0.53)
SCHEMBL27959183 0.77
SCHEMBL14409680 0.76
Benzoic Acid SCHEMBL27952668 0.76
SCHEMBL7383880 0.75 GPR4 (0.51)
Benzoic Acid SCHEMBL8365322 0.75
Methylamine SCHEMBL9307845 0.74
SCHEMBL13743046 0.72 AGTR1 (0.66)

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
EP-4309673-A2 FORMULATIONS OF GUANYLATE CYCLASE C AGONISTS AND METHODS OF USE Bausch Health Ireland Limited (IE) 2024-01-24 EP disclosed
EP-3708179-A1 FORMULATIONS OF GUANYLATE CYCLASE C AGONISTS AND METHODS OF USE Bausch Health Ireland Limited (IE) 2020-09-16 EP disclosed
EP-2825188-B1 FORMULATIONS OF GUANYLATE CYCLASE C AGONISTS AND METHODS OF USE BAUSCH HEALTH IRELAND LTD (IE) 2020-03-04 EP disclosed
EP-3239170-A1 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS, INFLAMMATION, CANCER AND OTHER DISORDERS Synergy Pharmaceuticals Inc. (US) 2017-11-01 EP disclosed
EP-2810951-B1 Agonists of guanylate cyclase useful for the treatment of gastrointestinal disorders, inflammation, cancer and other disorders SYNERGY PHARMACEUTICALS INC (US) 2017-03-15 EP disclosed
EP-2296685-B1 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS, INFLAMMATION, CANCER AND OTHER DISORDERS SYNERGY PHARMACEUTICALS INC (US) 2015-09-02 EP disclosed
EP-2810951-A2 Agonists of guanylate cyclase useful for the treatment of gastrointestinal disorders, inflammation, cancer and other disorders Synergy Pharmaceuticals Inc. (US) 2014-12-10 EP disclosed
EP-2328910-B1 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS, INFLAMMATION, CANCER AND OTHER DISORDERS SYNERGY PHARMACEUTICALS INC (US) 2014-08-06 EP disclosed