SCHEMBL28834040

SCHEMBL28834040

O=C1CCCN1C(=O)CN1CC[C@H](Oc2cccc3cc4ccccc4nc23)C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 8/20 0.42
▸ HCRTR1 O43613 7/20 0.37
▸ HCRTR2 O43614 7/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TERT O14746 1/20 0.35

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
SCHEMBL28834042 1.00 MCHR1 (0.42) MCHR1HCRTR1HCRTR2ALDH1A1PKM
SCHEMBL28952086 0.84 HCRTR1 (0.46) MCHR1HCRTR1HCRTR2ALDH1A1
SCHEMBL28952091 0.84 HCRTR1 (0.46) MCHR1HCRTR1HCRTR2ALDH1A1
SCHEMBL23379622 0.82 MCHR1 (0.42) MCHR1HCRTR1HCRTR2ALDH1A1
SCHEMBL23359931 0.80 PREP (0.49) —
SCHEMBL23379323 0.80 PREP (0.49) —
SCHEMBL23359928 0.80 PREP (0.49) —
SCHEMBL29862536 0.80 PREP (0.49) —
SCHEMBL28834009 0.80 HCRTR1 (0.47) HCRTR1HCRTR2ALDH1A1
SCHEMBL28834010 0.80 HCRTR1 (0.47) HCRTR1HCRTR2ALDH1A1

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
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