SCHEMBL20341827

SCHEMBL20341827

CSc1ccc(-c2ccc3cc(C(=O)NC4(C)CCCCC4)oc3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 3/20 0.37
▸ PDE7B Q9NP56 1/20 0.37
▸ CYP2C19 P33261 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ HSD11B1 P28845 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL18615936 0.89 MAOA (0.33) ABL1RAB9AMAOAMAOBHSD11B1
SCHEMBL20341767 0.84 ABL1 (0.37) ABL1PDE7BRAB9AHSD11B1NPC1
SCHEMBL20341809 0.82 PDE7B (0.37) ABL1PDE7BRAB9AHSD11B1NPC1
SCHEMBL20341824 0.81 CTSS (0.34) CYP2C19RAB9A
SCHEMBL23810302 0.81 GSK3B (0.40) ABL1RAB9ANPC1
SCHEMBL20341808 0.80 CTSL (0.47) —
SCHEMBL18615931 0.75 CTSS (0.36) PDE7BRAB9A
SCHEMBL20341862 0.74 BMPR1B (0.36) RAB9AHSD11B1NPC1
SCHEMBL20341807 0.74 CTSL (0.39) —
SCHEMBL20341771 0.74 CTSL (0.38) —

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
EP-3342765-A1 CATHEPSIN K INHIBITOR AND APPLICATION THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2018-07-04 — — EP disclosed
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