SCHEMBL28546916

SCHEMBL28546916

[CH2]c1cc(Oc2ccc(N3CCC(N(C)C(=O)OC(C)(C)C)CC3)nc2)cc(-c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 8/20 0.40
▸ RET P07949 2/20 0.39
▸ AAK1 Q2M2I8 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ FURIN P09958 6/20 0.36
▸ TACR3 P29371 1/20 0.35
▸ SCN9A Q15858 1/20 0.35

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
SCHEMBL28551717 0.90 MCHR1 (0.41) MCHR1RETAAK1PDE10AFURIN
SCHEMBL28539414 0.84 CKS1B (0.48) RETFURIN
SCHEMBL29890855 0.84 FURIN (0.39) MCHR1RETAAK1PDE10AFURIN
SCHEMBL21551603 0.82 FURIN (0.39) MCHR1RETAAK1PDE10AFURIN
SCHEMBL21551605 0.81 FURIN (0.41) MCHR1RETAAK1FURINSCN9A
SCHEMBL29890682 0.80 FURIN (0.37) MCHR1RETAAK1PDE10AFURIN
SCHEMBL21564562 0.77 CKS1B (0.44) RETFURIN
SCHEMBL29890729 0.77 CKS1B (0.44) RETFURIN
SCHEMBL21551013 0.73 CKS1B (0.46) RETFURIN
SCHEMBL595584 0.73 AAK1 (0.47) MCHR1RETAAK1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112384509-B Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-04-30 — — CN disclosed
CN-112384509-A Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2021-02-19 — — CN disclosed
Send feedback