SCHEMBL9681410

SCHEMBL9681410

COc1ccc(CCN2CCC([S+]([O-])c3ccc(NS(C)(=O)=O)cc3)CC2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.43
EBP Q15125 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
HTR1A P08908 1/20 0.43
SLC6A4 P31645 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 4/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL9677487 0.92 SMN1; SMN2 (0.43) ABCB1EBPSIGMAR1HTR1ASLC6A4
SCHEMBL9678100 0.83 KCNH2 (0.48) ABCB1EBPSIGMAR1HTR1ASLC6A4
SCHEMBL9444367 0.83 ABCB1 (0.61) ABCB1EBPSIGMAR1HTR1ASLC6A4
SCHEMBL9447564 0.81 ABCB1 (0.45) ABCB1EBPSIGMAR1HTR1ASLC6A4
SCHEMBL9444495 0.80 KCNH2 (0.58) ABCB1KCNH2ALDH1A1HTTKMT2A
Hydrochloric Acid SCHEMBL9444430 0.79 KCNH2 (0.59) ABCB1KCNH2ALDH1A1HTTKMT2A
SCHEMBL9041547 0.78 ABCB1 (0.43) ABCB1EBPSIGMAR1HTR1ASLC6A4
SCHEMBL9676471 0.78 ALDH1A1 (0.44) HTR1AKCNH2ALDH1A1
SCHEMBL7028266 0.77 HTR2A (0.48) ABCB1EBPSIGMAR1HTR1ASLC6A4
SCHEMBL10645360 0.76 KMT2A (0.54) ABCB1EBPSIGMAR1TMEM97ALDH1A1

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
US-5162347-A Piperidine derivatives and therapeutic and preventive agents for arrhythmia containing same EISAI CO., LTD. (JP) 1992-11-10 US disclosed
US-5082850-A PIPERIDINE DERIVATIVES AND THERAPEUTIC AND PREVENTIVE AGENTS FOR ARRHYTHMIA CONTAINING SAME EISAI CO., LTD. (JP) 1992-01-21 US disclosed
US-4977165-A Piperidine derivative and therapeutic and preventive agents for arrhythmia containing same EISAI CO., LTD. (JP) 1990-12-11 US disclosed