SCHEMBL27874879

SCHEMBL27874879

COCCN1CCN(C(CN2CCC(N3CCCCC3)CC2)c2ccc(CN)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.45
▸ MC4R P32245 4/20 0.43
▸ CCR3 P51677 3/20 0.38
▸ L3MBTL3 Q96JM7 3/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ SLC2A1 P11166 1/20 0.37

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
SCHEMBL11994122 0.89 HRH3 (0.57) HRH3MC4RCCR3
SCHEMBL11968971 0.88 HRH3 (0.52) HRH3MC4RCCR3
SCHEMBL11968870 0.88 MC4R (0.53) HRH3MC4RCCR3SLC2A1
SCHEMBL11968882 0.88 HRH3 (0.56) HRH3MC4RCCR3
SCHEMBL11994090 0.88 HRH3 (0.48) HRH3MC4RCCR3L3MBTL3L3MBTL1
SCHEMBL1461311 0.86 HRH3 (0.47) HRH3MC4RCCR3L3MBTL3L3MBTL1
SCHEMBL11968820 0.85 HRH3 (0.53) HRH3MC4RSLC2A1
SCHEMBL11968978 0.85 HRH3 (0.45) HRH3MC4R
SCHEMBL11968881 0.85 HRH3 (0.49) HRH3MC4RCCR3
SCHEMBL11968875 0.85 HRH3 (0.47) HRH3MC4RCCR3SLC2A1

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-102712587-A Novel ethane diamine hepcidin antagonists VIFOR INT AG 2012-10-03 — — CN disclosed
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