SCHEMBL30087451

SCHEMBL30087451

O=C(O)c1cn(Cc2cnc(N3CC4CC4C3)nc2/C=C/c2ccccc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 9/20 0.36
KLKB1 P03952 8/20 0.35
PDE5A O76074 2/20 0.33
HDAC3 O15379 1/20 0.33
CYP2D6 P10635 1/20 0.33
HDAC4 P56524 1/20 0.33
KCNH2 Q12809 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
PPARG P37231 1/20 0.32

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
SCHEMBL23754327 1.00 RBP4 (0.36) RBP4KLKB1PDE5AHDAC3CYP2D6
SCHEMBL23769185 0.89 KLKB1 (0.35) RBP4KLKB1PDE5A
SCHEMBL23769275 0.81 KLKB1 (0.60) KLKB1
SCHEMBL21736743 0.80 KLKB1 (0.49) RBP4KLKB1
SCHEMBL23753966 0.80 RBP4 (0.35) RBP4PDE5AHDAC3CYP2D6HDAC4
SCHEMBL23769221 0.78 KLKB1 (0.45) RBP4KLKB1
SCHEMBL23769396 0.75 KLKB1 (0.44) RBP4KLKB1
SCHEMBL23769211 0.74 KLKB1 (0.38) KLKB1PDE5A
SCHEMBL23754159 0.73 ALDH1A1 (0.45) RBP4PDE5A
SCHEMBL29906556 0.73 ALDH1A1 (0.45) RBP4PDE5A

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 2 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
EP-4103562-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS Boehringer Ingelheim International GmbH (DE) 2022-12-21 EP disclosed