SCHEMBL29862589

SCHEMBL29862589

O=C(O)[C@@H]1CCCN1C(=O)CN1CC[C@H](Oc2ccccc2Cc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.53
ACE P12821 8/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACE2 Q9BYF1 1/20 0.40

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
SCHEMBL28834211 0.91 HRH1 (0.52) HRH1ACESCN1ASCN2ASCN3A
SCHEMBL28834212 0.91 HRH1 (0.52) HRH1ACESCN1ASCN2ASCN3A
SCHEMBL23378966 0.88 HRH1 (0.55) HRH1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL29862585 0.86 POLB (0.46) HRH1ACEALDH1A1SMN1; SMN2ACE2
SCHEMBL23359791 0.86 HRH1 (0.50) HRH1
SCHEMBL23378965 0.86 HRH1 (0.50) HRH1
SCHEMBL29862580 0.86 HRH1 (0.50) HRH1
SCHEMBL23359793 0.86 HRH1 (0.50) HRH1
SCHEMBL25665894 0.86 HRH1 (0.50) HRH1SCN1ASCN2ASCN3A
SCHEMBL28834365 0.83 PREP (0.45) ACEALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114867719-A Pyrrolidine and piperidine compounds 柳韩洋行 2022-08-05 CN disclosed