SCHEMBL9444336

SCHEMBL9444336

Cc1ccc(CCN2CCC(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.67
▸ CYP3A4 P08684 2/20 0.67
▸ CYP2D6 P10635 2/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ KDM4E B2RXH2 2/20 0.66
▸ POLB P06746 2/20 0.66
▸ HTR2A P28223 5/20 0.51
▸ HTR2C P28335 4/20 0.51
▸ HTR7 P34969 3/20 0.51
▸ HTR6 P50406 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL9444414 0.94 KCNH2 (0.62) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9444267 0.90 KCNH2 (0.59) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9444344 0.89 KCNH2 (0.61) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9444458 0.87 KCNH2 (0.67) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9444455 0.86 KCNH2 (0.65) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9444324 0.85 KCNH2 (0.66) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
Hydrochloric Acid SCHEMBL9444345 0.85 KCNH2 (0.65) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9444435 0.85 KCNH2 (0.64) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9444395 0.85 KCNH2 (0.65) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9444363 0.84 KCNH2 (0.62) 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 9 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
EP-0235752-B1 Piperidine derivative, pharmaceutical composition containing the same and use EISAI CO LTD (JP) 1993-11-18 — — EP disclosed
US-5179095-A Antiarrhythmia agents EISAI CO., LTD. (JP) 1993-01-12 — — US disclosed
US-5118689-A Antiarrhythmia agents EISAI CO., LTD. (JP) 1992-06-02 — — US disclosed
US-4996215-A Antiarrythmia agents EISAI CO., LTD. (JP) 1991-02-26 — — US disclosed
US-4876262-A ANTIARRHYTHMIA AGENTS EISAI CO., LTD. (JP) 1989-10-24 — — US disclosed
EP-0235752-A2 Piperidine derivative, pharmaceutical composition containing the same and use Eisai Co., Ltd. (JP) 1987-09-09 — — EP disclosed
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