SCHEMBL9535683

SCHEMBL9535683

CC(c1cncc(Cl)c1)N1CCC(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ MGLL Q99685 2/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ACKR3 P25106 8/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ PROKR1 Q8TCW9 1/20 0.39
▸ FAAH O00519 1/20 0.38
▸ SCN9A Q15858 2/20 0.37

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
SCHEMBL9444391 0.84 KCNH2 (0.49) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9535688 0.78 KCNH2 (0.60) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9677470 0.77 LMNA (0.51) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9077053 0.74 HSD11B1 (0.45) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9444445 0.73 CYP2D6 (0.49) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL8105641 0.73 CYP3A4 (0.49) CYP3A4MGLLMEN1KMT2ALMNA
SCHEMBL14686962 0.73 MGLL (0.71) MGLLMEN1KMT2A
Hydrochloric Acid SCHEMBL9444478 0.72 KCNH2 (0.60) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
Hydrochloric Acid SCHEMBL9444456 0.72 KCNH2 (0.60) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9444406 0.71 MAPK1 (0.55) KCNH2CYP3A4CYP2D6CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0235752-B1 Piperidine derivative, pharmaceutical composition containing the same and use EISAI CO LTD (JP) 1993-11-18 — — EP claimed
US-4876262-A ANTIARRHYTHMIA AGENTS EISAI CO., LTD. (JP) 1989-10-24 — — US claimed
EP-0235752-A2 Piperidine derivative, pharmaceutical composition containing the same and use Eisai Co., Ltd. (JP) 1987-09-09 — — EP claimed
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