SCHEMBL28598807

SCHEMBL28598807

O=C(O)Nc1ccc2cc(C(=O)NC3CCNCC3)n(Cc3cccc4ccccc34)c2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 10/20 0.42
▸ HTR1A P08908 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ HTR4 Q13639 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ ECE1 P42892 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.39
▸ KHK P50053 2/20 0.39
▸ ACSS2 Q9NR19 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 0.88 HTR6 (0.44) F10HTR1AHTR7HTR2BHTR6
SCHEMBL25016025 0.85 F10 (0.45) F10CNR2HTR4DRD4F2
SCHEMBL21822222 0.85 F10 (0.44) F10CNR2HTR4F2KHK
SCHEMBL21822282 0.84 F10 (0.49) F10CNR2F2KHKACSS2
SCHEMBL25016029 0.82 ACSS2 (0.42) F10CNR2HTR4KHKACSS2
SCHEMBL28582778 0.82 CCR2 (0.48) F10
SCHEMBL25015961 0.82 F10 (0.41) F10CNR2F2
SCHEMBL28594358 0.82 F10 (0.41) F10CNR2F2
SCHEMBL25016722 0.81 F10 (0.44) F10CNR2KHKACSS2
SCHEMBL25017934 0.80 F10 (0.48) F10F2ACSS2

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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