SCHEMBL31033231

SCHEMBL31033231

CCOC(=O)c1cnn(Cc2ccc(N3CC4CC4C3)nc2C)c1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 18/20 0.57
BTK Q06187 2/20 0.44

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
SCHEMBL20540770 1.00 KLKB1 (0.57) KLKB1BTK
SCHEMBL23769206 0.91 KLKB1 (0.49) KLKB1BTK
SCHEMBL23754006 0.90 KLKB1 (0.48) KLKB1BTK
SCHEMBL29906563 0.90 KLKB1 (0.48) KLKB1BTK
SCHEMBL23769328 0.90 KLKB1 (0.48) KLKB1BTK
SCHEMBL23769150 0.90 KLKB1 (0.48) KLKB1BTK
SCHEMBL23769288 0.90 KLKB1 (0.48) KLKB1BTK
SCHEMBL23754332 0.89 KLKB1 (0.47) KLKB1BTK
SCHEMBL23754102 0.89 KLKB1 (0.47) KLKB1BTK
SCHEMBL23754010 0.89 KLKB1 (0.47) KLKB1BTK

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-113039181-B Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2024-08-13 CN disclosed