SCHEMBL21947282

SCHEMBL21947282

C=CN[C@H]1C[C@@H](OCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ NAAA Q02083 4/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ CARM1 Q86X55 1/20 0.40
▸ PRMT6 Q96LA8 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ PRMT8 Q9NR22 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ OPRM1 P35372 2/20 0.39
▸ OPRL1 P41146 2/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ BCHE P06276 2/20 0.37
▸ ACHE P22303 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SLC18A3 Q16572 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
SCHEMBL23192139 1.00 CTSL (0.43) CTSLCTSBCTSKNAAATMEM97
SCHEMBL22614076 0.78 CTSL (0.46) CTSLCTSBCTSKNAAATMEM97
SCHEMBL31212210 0.78 CTSL (0.46) CTSLCTSBCTSKNAAATMEM97
SCHEMBL20121044 0.77 CTSL (0.45) CTSLCTSBCTSKNAAATMEM97
SCHEMBL24437601 0.77 EPHX2 (0.47) CTSLCTSBCTSKNAAATMEM97
SCHEMBL20121045 0.77 CTSL (0.45) CTSLCTSBCTSKNAAATMEM97
SCHEMBL29284867 0.77 CTSL (0.45) CTSLCTSBCTSKNAAATMEM97
SCHEMBL29260378 0.75 CTSL (0.50) CTSLCTSBCTSKNAAATMEM97
SCHEMBL2633999 0.74 EPHX2 (0.51) CTSLCTSBCTSKEPHX2TSHR
SCHEMBL2634094 0.74 EPHX2 (0.51) CTSLCTSBCTSKEPHX2TSHR

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
WO-2020081508-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-04-23 — — WO disclosed
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