SCHEMBL29222005

SCHEMBL29222005

Cc1ccc(C#N)cc1C(=O)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.53
SLC6A5 Q9Y345 3/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
RORC P51449 5/20 0.52
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.50
FASN P49327 2/20 0.49
CNR1 P21554 1/20 0.48
PKM P14618 1/20 0.48
PABPC1 P11940 1/20 0.47
ELANE P08246 1/20 0.46
GAA P10253 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
SCHEMBL31432270 0.81 RORC (0.50) SLC6A9SLC6A5RORCHPGDHTT
SCHEMBL12813152 0.81 KMT2A (0.58) MEN1KMT2AHPGDHTTCNR1
SCHEMBL19894129 0.79 GBA1 (0.42) SLC6A9SLC6A5HTTFASN
SCHEMBL2529453 0.78 MEN1 (0.55) MEN1KMT2AHPGDHTTCNR1
SCHEMBL17979877 0.78 MEN1 (0.55) MEN1KMT2AHPGDHTTCNR1
SCHEMBL7895681 0.78 MEN1 (0.55) MEN1KMT2AHPGDHTTCNR1
SCHEMBL29717082 0.78 RAB9A (0.57) SLC6A5MEN1KMT2AHPGDHTT
SCHEMBL4202320 0.77 FASN (0.57) FASN
SCHEMBL21524887 0.76 PHGDH (0.63) KMT2AHPGDHTTPKM
SCHEMBL12545691 0.76 HSP90AA1 (0.53) MEN1KMT2AHPGDHTTCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117915903-A Compounds for the treatment of neurodegenerative, degenerative and metabolic disorders and uses thereof 佛罗里达大学研究基金会公司 2024-04-19 CN disclosed
EP-4259118-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS The Scripps Research Institute (US) 2023-10-18 EP disclosed
WO-2022125989-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS SCRIPPS RESEARCH INSTITUTE, THE (US) 2022-06-16 WO disclosed