SCHEMBL21822129

SCHEMBL21822129

N#Cc1ccc2cc(C(=O)O)n(Cc3ccc(C(F)(F)F)cc3)c2c1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 11/20 0.80
CCR2 P41597 8/20 0.64
PPARG P37231 1/20 0.47

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
SCHEMBL31689652 1.00 CCR9 (0.80) CCR9CCR2PPARG
SCHEMBL21822218 0.85 CCR9 (0.62) CCR9CCR2PPARG
SCHEMBL28593764 0.84 CCR9 (0.72) CCR9CCR2
SCHEMBL21822376 0.83 CCR9 (0.71) CCR9CCR2
SCHEMBL31689702 0.83 CCR9 (0.71) CCR9CCR2
SCHEMBL21822522 0.83 CCR9 (0.56) CCR9CCR2PPARG
SCHEMBL31689672 0.83 CCR9 (0.56) CCR9CCR2PPARG
SCHEMBL31689688 0.81 CCR9 (0.69) CCR9CCR2
SCHEMBL21822281 0.81 CCR9 (0.69) CCR9CCR2
SCHEMBL21822721 0.81 CCR9 (0.68) CCR9CCR2

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
EP-3860636-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF Disc Medicine, Inc. (US) 2021-08-11 EP disclosed
CN-112996529-A Matriptase 2 inhibitor and application thereof 迪斯克医药公司 2021-06-18 CN disclosed
WO-2020072580-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. (US) 2020-04-09 WO disclosed