SCHEMBL21279836

SCHEMBL21279836

Cc1cc(N2CCCC2)nc2cc(C3CCCCN3C(=O)c3cc(Cl)ccc3N)nn12

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 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
SCHEMBL2737948 0.90 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL21279572 0.87 — —
SCHEMBL21279837 0.86 HCRTR1 (0.35) HCRTR1HCRTR2
SCHEMBL22176199 0.85 HCRTR1 (0.35) HCRTR1HCRTR2
SCHEMBL2737484 0.85 MCHR1 (0.36) —
SCHEMBL2737486 0.85 MCHR1 (0.36) —
SCHEMBL15957794 0.84 ADORA2A (0.37) HCRTR1HCRTR2
SCHEMBL15317008 0.83 ABCB1 (0.41) —
SCHEMBL19447437 0.82 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL19447555 0.82 HCRTR1 (0.38) HCRTR1HCRTR2

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-2838900-B1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2019-08-21 — — EP disclosed
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