SCHEMBL20341809

SCHEMBL20341809

CC1(NC(=O)c2cc3ccc(-c4ccc(C5(N)COC5)cc4)cc3o2)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE7B Q9NP56 1/20 0.37
▸ RAB9A P51151 3/20 0.34
▸ ABL1 P00519 5/20 0.34
▸ BMPR1B O00238 1/20 0.33
▸ BMPR1A P36894 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ ACVRL1 P37023 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ HSD11B1 P28845 3/20 0.32
▸ TP53 P04637 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL20341767 0.85 ABL1 (0.37) PDE7BRAB9AABL1NPC1HSD11B1
SCHEMBL20341827 0.82 ABL1 (0.37) PDE7BRAB9AABL1NPC1HSD11B1
SCHEMBL18616834 0.81 CTSL (0.45) —
SCHEMBL23810302 0.78 GSK3B (0.40) RAB9AABL1NPC1
SCHEMBL18615931 0.77 CTSS (0.36) PDE7BRAB9A
SCHEMBL18615938 0.74 CTSL (0.37) —
SCHEMBL18615936 0.72 MAOA (0.33) RAB9AABL1NPC1HSD11B1
SCHEMBL20341862 0.72 BMPR1B (0.36) RAB9ABMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL23810222 0.71 NPC1 (0.48) RAB9ANPC1TP53
SCHEMBL23810294 0.71 TACR2 (0.35) —

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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