SCHEMBL30739006

SCHEMBL30739006

[2H]C([2H])([2H])n1c(=O)oc2ccc(-c3ccc(C[C@H](N)C#N)s3)cc21

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 8/20 0.35
▸ PGR P06401 2/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.31
▸ KCNJ1 P48048 2/20 0.30
▸ METAP2 P50579 1/20 0.30

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
SCHEMBL29455578 0.93 CTSC (0.40) CTSCPGRGPR55KCNJ1
SCHEMBL24981561 0.93 CTSC (0.40) CTSCPGRGPR55KCNJ1
SCHEMBL30738957 0.83 CTSC (0.46) CTSCKCNJ1
SCHEMBL32680807 0.82 CTSC (0.49) CTSCGPR55KCNJ1
SCHEMBL29455670 0.82 CTSC (0.49) CTSCGPR55KCNJ1
SCHEMBL31095587 0.80 CTSC (0.38) CTSCGPR55KCNJ1
SCHEMBL25865932 0.78 CTSC (0.44) CTSCGPR55KCNJ1
SCHEMBL24982020 0.77 CTSC (0.41) CTSCGPR55KCNJ1
SCHEMBL31095814 0.76 CTSC (0.40) CTSCPGRGPR55KCNJ1
SCHEMBL31095686 0.76 CTSC (0.40) CTSCPGRGPR55KCNJ1

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
EP-4561565-A2 NOVEL DPP1 INHIBITORS AND USES THEREOF Insmed Incorporated (US) 2025-06-04 — — EP disclosed
WO-2024026433-A2 NOVEL DPP1 INHIBITORS AND USES THEREOF INSMED INCORPORATED (US) 2024-02-01 — — WO disclosed
Send feedback