SCHEMBL21281450

SCHEMBL21281450

Cc1ccccc1N1CCN(c2ccc3ccn(CCN4CCCC4C)c3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 19/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ SLC18A3 Q16572 1/20 0.36

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
SCHEMBL21274100 1.00 HRH3 (0.42) HRH3KCNH2SLC18A3
SCHEMBL21268806 1.00 HRH3 (0.42) HRH3KCNH2SLC18A3
SCHEMBL21274178 0.87 SLC18A3 (0.35) SLC18A3
SCHEMBL21274058 0.86 SLC18A3 (0.36) HRH3KCNH2SLC18A3
SCHEMBL21274472 0.86 VEGFA (0.37) KCNH2SLC18A3
SCHEMBL21274106 0.83 PARP1 (0.35) HRH3KCNH2SLC18A3
SCHEMBL21281579 0.83 PARP1 (0.35) HRH3SLC18A3
SCHEMBL21281500 0.83 ADRA1A (0.45) —
SCHEMBL21268787 0.81 PARP1 (0.42) HRH3SLC18A3
SCHEMBL21285495 0.81 PARP1 (0.42) HRH3

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
EP-3527209-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB Biopharma SPRL (BE) 2019-08-21 — — EP disclosed
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