SCHEMBL28598772

SCHEMBL28598772

O=C(O)Nc1ccc2cc(C(=O)NCC3CCNCC3)n(Cc3ccc4ccccc4c3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 1/20 0.44
▸ PPARG P37231 1/20 0.43
▸ EPHX1 P07099 1/20 0.42
▸ BRD4 O60885 3/20 0.42
▸ F10 P00742 4/20 0.40
▸ CHRM1 P11229 2/20 0.39
▸ ACSS2 Q9NR19 1/20 0.39
▸ CCR2 P41597 2/20 0.39
▸ BCHE P06276 1/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ MCHR1 Q99705 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
SCHEMBL28593853 0.86 HTR6 (0.44) HTR4PPARGBRD4F10CHRM1
SCHEMBL28582228 0.84 HTR4 (0.45) HTR4EPHX1CHRM1ACSS2BCHE
SCHEMBL21822628 0.83 F10 (0.55) F10
SCHEMBL21822469 0.82 F10 (0.43) HTR4PPARGBRD4F10ACSS2
SCHEMBL21822470 0.82 F10 (0.43) HTR4PPARGBRD4F10ACSS2
SCHEMBL25017546 0.82 F10 (0.43) HTR4PPARGBRD4F10ACSS2
SCHEMBL28594363 0.76 F10 (0.44) PPARGEPHX1F10CCR2
SCHEMBL25017427 0.75 HTR4 (0.43) HTR4PPARGF10
SCHEMBL28598807 0.74 F10 (0.42) HTR4F10ACSS2
SCHEMBL25016018 0.72 HTR4 (0.46) HTR4PPARGCHRM1ACSS2BCHE

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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