SCHEMBL27854002

SCHEMBL27854002

[CH]1CCCN(Cc2cccc3[nH]ccc23)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ GAA P10253 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ DAO P14920 1/20 0.44
▸ BCHE P06276 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ PDE2A O00408 1/20 0.43
▸ OPRM1 P35372 2/20 0.42
▸ OPRK1 P41145 2/20 0.42
▸ OPRL1 P41146 1/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ PARP1 P09874 1/20 0.40
▸ PARP2 Q9UGN5 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
SCHEMBL3622506 0.85 LMNA (0.58) LMNAHTTKDM4EMAPK1GAA
SCHEMBL13284389 0.84 KDM4E (0.65) LMNAHTTKDM4EMAPK1GAA
SCHEMBL27854104 0.82 LMNA (0.71) LMNAHTTKDM4EMAPK1GAA
SCHEMBL28791958 0.78 DRD4 (0.45) KDM4EJAK2DRD4HTR2A
SCHEMBL23609411 0.77 HTR6 (0.56) LMNAHTTKDM4EMAPK1GAA
SCHEMBL30099664 0.77 HTR6 (0.56) LMNAHTTKDM4EMAPK1GAA
SCHEMBL23432525 0.75 GAA (0.52) LMNAHTTKDM4EMAPK1GAA
SCHEMBL32691857 0.74 GAA (0.50) LMNAHTTKDM4EMAPK1GAA
SCHEMBL28256631 0.73 OPRM1 (0.55) LMNAHTTKDM4EMAPK1GAA
SCHEMBL16242410 0.70 FAAH (0.46) MAPTPARP1MAPK14

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
CN-102015683-A Substituted indole derivatives GRUENENTHAL GMBH 2011-04-13 — — CN claimed
CN-102015683-A Substituted indole derivatives GRUENENTHAL GMBH 2011-04-13 — — CN disclosed
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