SCHEMBL9444267

SCHEMBL9444267

Cc1ccc(CN2CCC(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ ACKR3 P25106 2/20 0.47
▸ JAK2 O60674 1/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ HTR2A P28223 1/20 0.45
▸ PRKAA2 P54646 6/20 0.45
▸ PRKAB2 O43741 5/20 0.45
▸ PRKAG1 P54619 5/20 0.45
▸ PRKAA1 Q13131 5/20 0.45
▸ PRKAG3 Q9UGI9 5/20 0.45
▸ PRKAG2 Q9UGJ0 5/20 0.45
▸ PRKAB1 Q9Y478 5/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 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
SCHEMBL9444336 0.90 KCNH2 (0.67) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9444408 0.89 KMT2A (0.56) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9444414 0.88 KCNH2 (0.62) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9444329 0.87 PRKAB2 (0.54) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9444470 0.86 KCNH2 (0.56) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9444369 0.83 KCNH2 (0.57) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9444444 0.83 KCNH2 (0.59) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
Hydrochloric Acid SCHEMBL9444437 0.82 POLB (0.58) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
Hydrochloric Acid SCHEMBL9444364 0.82 KCNH2 (0.60) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9444354 0.82 KCNH2 (0.54) 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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