SCHEMBL24270959

SCHEMBL24270959

Cc1ccc(C(=O)CN2CC3CCCC3C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
GRIN2B Q13224 15/20 0.56
ALDH1A1 P00352 2/20 0.52
GRIN1 Q05586 5/20 0.48
LMNA P02545 2/20 0.44
AKR1C3 P42330 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL17643312 0.86 GRIN2B (0.64) GRIN2BGRIN1
SCHEMBL26019872 0.86 GRIN2B (0.64) GRIN2BGRIN1
SCHEMBL20090988 0.86 GRIN2B (0.64) GRIN2BGRIN1
SCHEMBL22239247 0.82 GRIN2B (0.47) GRIN2BGRIN1
SCHEMBL22239248 0.81 GRIN2B (0.48) GRIN2BGRIN1
SCHEMBL22239240 0.79 GRIN2B (0.50) GRIN2BGRIN1
SCHEMBL4936082 0.78 MEN1 (0.75) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL13777920 0.78 MEN1 (0.56) MEN1KMT2AGRIN2BALDH1A1NPC1
SCHEMBL6397229 0.77 KMT2A (0.59) MEN1KMT2AGRIN2BALDH1A1LMNA
SCHEMBL7207451 0.76 KMT2A (0.57) MEN1KMT2AGRIN2BALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4282412-A2 N-ALKYLARYL-5-OXYHETEROARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B Novartis AG (CH) 2023-11-29 EP disclosed
EP-3974420-A1 N-ALKYLARYL-5-OXYHETEROARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B Cadent Therapeutics, Inc. (US) 2022-03-30 EP disclosed