SCHEMBL9095902

SCHEMBL9095902

CCC(O)CNCc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ DNM1 Q05193 7/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL18322510 0.71 ROCK2 (0.46) OPRK1CYP1A2CYP2D6CYP2C19ROCK2
SCHEMBL20297332 0.71 ROCK2 (0.46) OPRK1CYP1A2CYP2D6CYP2C19ROCK2
SCHEMBL588144 0.68 KDM4E (0.46) ROCK2
SCHEMBL29442719 0.68 TRPV3 (0.42) ROCK2GAACD274
SCHEMBL22345793 0.68 ROCK2 (0.36) CYP1A2ROCK2CD274
SCHEMBL30850026 0.68 TRPV3 (0.42) ROCK2GAACD274
SCHEMBL22345791 0.68 ROCK2 (0.36) CYP1A2ROCK2CD274
SCHEMBL22345797 0.68 TRPV3 (0.42) ROCK2GAACD274
SCHEMBL20268384 0.68 TRPV3 (0.42) ROCK2GAACD274
SCHEMBL30850042 0.68 ROCK2 (0.36) CYP1A2ROCK2CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516910-A N--2--chlorobenzyl--2--oxo and n--2--chlorobenzyl--2,2--dioxo--1,2,3--oxathiazolidine derivatives, their preparation and synthesis of thieno[3,2--c]pyridine derivatives therefrom SYNTEX (U.S.A.) INC. (US) 1996-05-14 — — US disclosed
EP-0497695-B1 N-2-chlorobenzyl-2-oxo and N-2-chlorobenzyl-2,2-dioxo-1,2,3-oxathiazolidine derivatives, their preparation and synthesis of thieno[3,2-c]pyridine derivatives therefrom SANOFI SA (FR) 1994-12-14 — — EP disclosed
US-5342953-A N-2-chlorobenzyl-2-oxo and N-2-chlorobenzyl-2,2-dioxo-1,2,3-oxathiazolidine derivatives, their preparation and synthesis of thieno[3,2-c]pyridine derivatives therefrom SYNTEX (U.S.A.) INC. (US) 1994-08-30 — — US disclosed
EP-0497695-A1 N-2-chlorobenzyl-2-oxo and N-2-chlorobenzyl-2,2-dioxo-1,2,3-oxathiazolidine derivatives, their preparation and synthesis of thieno[3,2-c]pyridine derivatives therefrom SANOFI (FR) 1992-08-05 — — EP disclosed
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