SCHEMBL8710608

SCHEMBL8710608

CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.57
▸ KLK7 P49862 1/20 0.57
▸ KLK5 Q9Y337 1/20 0.53
▸ CTSL P07711 2/20 0.53
▸ CTSS P25774 1/20 0.53
▸ CTSK P43235 1/20 0.53
▸ ACE P12821 1/20 0.53
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ CCKBR P32239 1/20 0.51

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
SCHEMBL27726223 0.91 TACR1 (0.56) TACR1KLK7CTSLCTSSCTSK
SCHEMBL27705684 0.91 TACR1 (0.56) TACR1KLK7CTSLCTSSCTSK
SCHEMBL28770050 0.90 CTSL (0.58) TACR1KLK7CTSLCTSSCTSK
SCHEMBL28770048 0.90 CTSL (0.58) TACR1KLK7CTSLCTSSCTSK
SCHEMBL10842684 0.81 ACE (0.53) CTSLACEHDAC8
SCHEMBL5355362 0.81 TACR1 (0.82) TACR1KLK7KLK5CTSLCTSS
SCHEMBL8697113 0.81 TACR1 (0.82) TACR1KLK7KLK5CTSLCTSS
SCHEMBL29397912 0.81 TACR1 (0.82) TACR1KLK7KLK5CTSLCTSS
SCHEMBL16464197 0.81 TACR1 (0.82) TACR1KLK7KLK5CTSLCTSS
SCHEMBL22962231 0.79 HDAC8 (0.58) KLK5CTSLCTSSCTSKACE

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
JP-10182613-A — — None — — JP disclosed
JP-H10182613-A TETRAPHYDROISOQUINOLINE DERIVATIVE TANABE SEIYAKU CO LTD 1998-07-07 — — JP disclosed
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