SCHEMBL22239231

SCHEMBL22239231

O=Nc1ccc(CCN2CC3CCCC3C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 7/20 0.38
L3MBTL1 Q9Y468 7/20 0.38
TP53BP1 Q12888 2/20 0.38
MBTD1 Q05BQ5 2/20 0.38
HRH3 Q9Y5N1 6/20 0.38

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
SCHEMBL22239299 0.79 ESR1 (0.43) L3MBTL3L3MBTL1MBTD1HRH3
SCHEMBL24136437 0.79 ESR1 (0.43) L3MBTL3L3MBTL1MBTD1HRH3
SCHEMBL22239313 0.79 HRH3 (0.39) HRH3
SCHEMBL13755814 0.78 SLC6A3 (0.58) HRH3
SCHEMBL7383115 0.76 HTR2A (0.49)
SCHEMBL7383109 0.76 HTR2A (0.49)
SCHEMBL7385498 0.75 HRH3 (0.58) HRH3
SCHEMBL7383578 0.75 HRH3 (0.58) HRH3
SCHEMBL7383573 0.75 HRH3 (0.58) HRH3
SCHEMBL22239247 0.73 GRIN2B (0.47) HRH3

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-3683207-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B Cadent Therapeutics, Inc. (US) 2020-07-22 EP disclosed