SCHEMBL29367019

SCHEMBL29367019

Cc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4OCC(F)F)CC3C2)n1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.80
HCRTR2 O43614 20/20 0.80

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
SCHEMBL13736598 0.89 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL29367144 0.88 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL29367566 0.87 HCRTR1 (0.78) HCRTR1HCRTR2
SCHEMBL27029897 0.87 HCRTR1 (0.78) HCRTR1HCRTR2
SCHEMBL16847392 0.84 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL17784683 0.84 HCRTR2 (0.57) HCRTR1HCRTR2
SCHEMBL11920242 0.83 HCRTR1 (0.79) HCRTR1HCRTR2
SCHEMBL6923384 0.81 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1672186 0.81 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL6925051 0.80 HCRTR1 (1.00) 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
CN-109988169-B Octahydropyrrolo [3,4-c ] pyrrole derivatives and uses thereof 广东东阳光药业有限公司 2022-02-01 CN disclosed