SCHEMBL22724669

SCHEMBL22724669

C=C1CCN(C2CN(C(C)C)C2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PARP1 P09874 1/20 0.31
▸ PARP2 Q9UGN5 1/20 0.31

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
SCHEMBL22724670 0.72 HTR2B (0.38) HRH3PARP2
SCHEMBL18294299 0.71 KDM5A (0.40) HRH3L3MBTL1
SCHEMBL22724570 0.71 HTR2C (0.35) —
SCHEMBL22724565 0.68 FPR2 (0.43) —
SCHEMBL30333755 0.68 — —
SCHEMBL509506 0.67 GRM5 (0.34) L3MBTL1
Hydrochloric Acid SCHEMBL22720410 0.67 TP53 (0.40) PARP1
SCHEMBL25043934 0.66 HTR2A (0.32) PARP1PARP2
SCHEMBL25045384 0.64 HTR2C (0.31) —
SCHEMBL24188237 0.63 OPRM1 (0.55) HRH3L3MBTL1

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
WO-2020239123-A1 AROMATIC HETEROCYCLIC DERIVATIVE MODULATOR AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2020-12-03 — — WO disclosed
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