SCHEMBL9444316

SCHEMBL9444316

CCS(=O)(=O)Nc1ccc(C(=O)C2CCN(Cc3ccncc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ POLB P06746 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ KCNH2 Q12809 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HIF1A Q16665 2/20 0.46
▸ EPAS1 Q99814 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9444369 0.90 KCNH2 (0.57) MAPTPOLBMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL9444437 0.89 POLB (0.58) MAPTPOLBMEN1KMT2ANPC1
SCHEMBL9444333 0.80 KCNH2 (0.66) POLBHTR2AKDM4EKCNH2CYP3A4
Hydrochloric Acid SCHEMBL9444310 0.79 KCNH2 (0.67) POLBHTR2AKDM4EKCNH2CYP3A4
SCHEMBL9444444 0.79 KCNH2 (0.59) POLBALDH1A1HTR2AKDM4EKCNH2
SCHEMBL9444356 0.78 HTR2A (0.68) HPGDPOLBHTR2AKDM4EKCNH2
SCHEMBL9444429 0.78 KCNH2 (0.61) POLBHTR2AKDM4EKCNH2CYP3A4
SCHEMBL9444470 0.78 KCNH2 (0.56) POLBKMT2AALDH1A1MAPK1KDM4E
SCHEMBL9866128 0.78 HPGD (0.42) MAPTL3MBTL1HPGDPOLBKMT2A
SCHEMBL9444250 0.78 LMNA (0.49) MAPTL3MBTL1HPGDPOLBMEN1

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 6 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 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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