SCHEMBL29520397

SCHEMBL29520397

N#Cc1cc(F)cc(-c2nc(-c3ccc(F)cn3)no2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 18/20 1.00
KCNH2 Q12809 1/20 0.86
CYP1A2 P05177 1/20 0.46

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
SCHEMBL2027395 1.00 GRM5 (1.00) GRM5KCNH2CYP1A2
SCHEMBL4195467 0.95 GRM5 (0.90) GRM5KCNH2CYP1A2
SCHEMBL4186520 0.93 GRM5 (1.00) GRM5KCNH2CYP1A2
SCHEMBL30079793 0.93 GRM5 (1.00) GRM5KCNH2CYP1A2
SCHEMBL4200191 0.90 GRM5 (0.82) GRM5KCNH2CYP1A2
SCHEMBL4193486 0.89 GRM5 (0.80) GRM5KCNH2CYP1A2
SCHEMBL4189699 0.89 GRM5 (0.80) GRM5KCNH2CYP1A2
SCHEMBL4185813 0.89 GRM5 (0.80) GRM5KCNH2CYP1A2
SCHEMBL4192990 0.89 GRM5 (0.80) GRM5KCNH2CYP1A2
SCHEMBL4190480 0.87 GRM5 (0.77) GRM5KCNH2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240285637-A1 PHOSPHODIESTERASE INHIBITORS FOR THE MITIGATION OF FRAGILE X SYNDROME SYMPTOMS The Royal Institution of the Advancement of Learning/McGill University (CA) 2024-08-29 US claimed
EP-4366739-A1 PHOSPHODIESTERASE INHIBITORS FOR THE MITIGATION OF FRAGILE X SYNDROME SYMPTOMS The Royal Institution for the Advancement of Learning / McGill University (CA) 2024-05-15 EP claimed
WO-2023279193-A9 PHOSPHODIESTERASE INHIBITORS FOR THE MITIGATION OF FRAGILE X SYNDROME SYMPTOMS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2023-04-27 WO claimed
WO-2023279193-A2 PHOSPHODIESTERASE INHIBITORS FOR THE MITIGATION OF FRAGILE X SYNDROME SYMPTOMS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2023-01-12 WO claimed
US-20240285637-A1 PHOSPHODIESTERASE INHIBITORS FOR THE MITIGATION OF FRAGILE X SYNDROME SYMPTOMS The Royal Institution of the Advancement of Learning/McGill University (CA) 2024-08-29 US disclosed
CN-112823157-B Spirochroman derivatives 吉瑞工厂 2024-08-09 CN disclosed
EP-4366739-A1 PHOSPHODIESTERASE INHIBITORS FOR THE MITIGATION OF FRAGILE X SYNDROME SYMPTOMS The Royal Institution for the Advancement of Learning / McGill University (CA) 2024-05-15 EP disclosed
CN-112805063-B Bicyclic derivatives as modulators of the GABAA A5 receptor 吉瑞工厂 2024-02-23 CN disclosed
WO-2023279193-A9 PHOSPHODIESTERASE INHIBITORS FOR THE MITIGATION OF FRAGILE X SYNDROME SYMPTOMS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2023-04-27 WO disclosed
WO-2023279193-A2 PHOSPHODIESTERASE INHIBITORS FOR THE MITIGATION OF FRAGILE X SYNDROME SYMPTOMS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2023-01-12 WO disclosed
CN-109983022-B Chroman, isochroman and dihydroisobenzofuran derivatives as mGluR2 negative allosteric modulators, compositions and uses thereof 默沙东公司 2022-06-07 CN disclosed
CN-109153649-B Allosteric modulators of nicotinic acetylcholine receptors 默沙东公司 2022-04-19 CN disclosed