SCHEMBL28593853

SCHEMBL28593853

O=C(O)Nc1ccc2cc(C(=O)NCC3CCNCC3)n(Cc3cccc4ccccc34)c2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.44
▸ HTR4 Q13639 3/20 0.43
▸ F10 P00742 4/20 0.40
▸ ECE1 P42892 1/20 0.40
▸ ACSS2 Q9NR19 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ BRD4 O60885 1/20 0.38

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
SCHEMBL28598807 0.88 F10 (0.42) HTR6HTR4F10ECE1ACSS2
SCHEMBL28598772 0.86 HTR4 (0.44) HTR4F10ACSS2PPARGKDM1A
SCHEMBL25017427 0.85 HTR4 (0.43) HTR6HTR4F10PPARG
SCHEMBL21822848 0.85 F10 (0.51) HTR4F10ACSS2
SCHEMBL28582778 0.81 CCR2 (0.48) F10
SCHEMBL28582228 0.79 HTR4 (0.45) HTR4ACSS2CHRM1
SCHEMBL28916652 0.78 ROCK1 (0.42) F10ECE1
SCHEMBL21822742 0.76 F10 (0.45) F10BRD4
SCHEMBL21822226 0.74 F10 (0.54) F10
SCHEMBL21822222 0.73 F10 (0.44) HTR4F10ACSS2KDM1A

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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