SCHEMBL21823093

SCHEMBL21823093

CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc3ccc(C#N)cc3n2Cc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 2/20 0.51
▸ USP30 Q70CQ3 1/20 0.46
▸ HDAC4 P56524 1/20 0.44
▸ CNR1 P21554 6/20 0.44
▸ F10 P00742 3/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ GPR119 Q8TDV5 2/20 0.42
▸ RORC P51449 1/20 0.41
▸ SLC6A5 Q9Y345 1/20 0.41
▸ PPARG P37231 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL30180535 0.90 CCR9 (0.54) CCR9CNR1F10DRD4PPARG
SCHEMBL28582822 0.90 CCR9 (0.54) CCR9CNR1F10DRD4PPARG
SCHEMBL28582824 0.90 CCR9 (0.54) CCR9CNR1F10DRD4PPARG
SCHEMBL30180858 0.89 CCR9 (0.47) CCR9USP30CNR1F10DRD4
SCHEMBL28915544 0.86 CCR9 (0.47) CCR9CNR1F10DRD4SLC6A5
SCHEMBL21822127 0.84 CCR9 (0.54) CCR9CNR1F10DRD4PPARG
SCHEMBL21822494 0.84 CCR9 (0.49) CCR9CNR1F10DRD4SLC6A5
SCHEMBL28582741 0.84 CCR9 (0.53) CCR9CNR1F10DRD4PPARG
SCHEMBL28582742 0.84 CCR9 (0.53) CCR9CNR1F10DRD4PPARG
SCHEMBL28572173 0.83 USP30 (0.49) USP30F10DRD4GPR119TP53

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
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