SCHEMBL28575354

SCHEMBL28575354

CCNC(=O)c1ccc(Cn2c(C(=O)NC3CCC(C)CC3)cc3ccc(NC(=O)O)cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.43
▸ CNR2 P34972 5/20 0.43
▸ F10 P00742 5/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ P2RX3 P56373 1/20 0.39
▸ CCR9 P51686 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ F2 P00734 1/20 0.37

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
SCHEMBL28594051 0.94 F10 (0.47) CNR1CNR2F10NPC1RAB9A
SCHEMBL28582805 0.91 F10 (0.45) CNR1CNR2F10NPC1RAB9A
SCHEMBL28915335 0.88 F10 (0.43) CNR1CNR2F10NPC1RAB9A
SCHEMBL21822193 0.85 F10 (0.45) CNR1CNR2F10NPC1RAB9A
SCHEMBL28961404 0.82 SMYD3 (0.46) F10F2
SCHEMBL28961405 0.82 SMYD3 (0.46) F10F2
SCHEMBL28573811 0.81 MAPT (0.47) F10RAB9ASMN1; SMN2F2
SCHEMBL28573808 0.81 MAPT (0.47) F10RAB9ASMN1; SMN2F2
SCHEMBL28575296 0.81 SMYD3 (0.45) F10F2
SCHEMBL28575297 0.81 SMYD3 (0.45) F10F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112996529-A Matriptase 2 inhibitor and application thereof 迪斯克医药公司 2021-06-18 — — CN disclosed
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