SCHEMBL29906608

SCHEMBL29906608

O=C(O)c1cn(Cc2ccc(N3CC4CC4C3)cc2Br)cn1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 8/20 0.47
RBP4 P02753 2/20 0.33
KDM4A O75164 1/20 0.31
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
RORC P51449 1/20 0.31
USP30 Q70CQ3 1/20 0.31

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
SCHEMBL23754195 1.00 KLKB1 (0.47) KLKB1RBP4KDM4AKDM5AKDM4C
SCHEMBL29906548 0.87 KLKB1 (0.47) KLKB1RBP4KDM4AKDM5AKDM4C
SCHEMBL23754076 0.87 KLKB1 (0.49) KLKB1RBP4RORC
SCHEMBL23754318 0.87 KLKB1 (0.47) KLKB1RBP4KDM4AKDM5AKDM4C
SCHEMBL29906573 0.86 KLKB1 (0.45) KLKB1
SCHEMBL23753982 0.86 KLKB1 (0.45) KLKB1
SCHEMBL29906588 0.84 KLKB1 (0.63) KLKB1
SCHEMBL23754316 0.84 KLKB1 (0.63) KLKB1
SCHEMBL23768864 0.80 KLKB1 (0.45) KLKB1RBP4USP30
SCHEMBL23830189 0.79 KLKB1 (0.39) KLKB1RBP4KDM4CUSP30

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116120287-B Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2025-01-28 CN disclosed
CN-116120287-A Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2023-05-16 CN disclosed
CN-115052873-A Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors 勃林格殷格翰国际有限公司 2022-09-13 CN disclosed