SCHEMBL5071905

SCHEMBL5071905

CCN(CC)CCCC[N+](C)(C(=O)O)c1ccnc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 8/20 0.43
GAA P10253 2/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
SCN1A P35498 1/20 0.38
OPRK1 P41145 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1C Q13936 1/20 0.38
SCN5A Q14524 1/20 0.38
GHSR Q92847 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38

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
SCHEMBL5074602 0.93 CDK1 (0.40) CACNA2D1GAAHTR2CHTR2BKDM4E
SCHEMBL1695427 0.85 XDH (0.38) CACNA2D1KDM4ELMNACYP2D6KCNH2
SCHEMBL5074650 0.84 HRH3 (0.37) KDM4ELMNACYP2D6KCNH2HTT
SCHEMBL1550279 0.84 KCNH2 (0.49) GAAHTR2BKDM4ESMN1; SMN2ABCB11
SCHEMBL1549840 0.80 CDK1 (0.45) KDM4ELMNACYP2D6KCNH2MAPT
SCHEMBL1695306 0.79 CDK1 (0.44) KDM4EALDH1A1LMNACYP2D6HPGD
SCHEMBL1550275 0.79 CDK1 (0.58) GAAHTR2BKDM4ESMN1; SMN2ABCB11
SCHEMBL5071096 0.76 HRH3 (0.47) CACNA2D1GAAHTR2CHTR2BKDM4E
SCHEMBL5069884 0.70 CACNA2D1 (0.49) CACNA2D1KDM4EMAPT
SCHEMBL5073627 0.70 HRH3 (0.44) CACNA2D1GAAHTR2CHTR2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126066-A1 COMPOSITIONS AND METHODS OF TREATING MUSCLE DYSTROPHY Avidity Biosciences, Inc. (US) 2023-02-08 EP disclosed
EP-4121063-A1 COMPOSITIONS AND METHODS OF TREATING FACIOSCAPULOHUMERAL MUSCULAR DYSTROPHY Avidity Biosciences, Inc. (US) 2023-01-25 EP disclosed
WO-2021195469-A1 COMPOSITIONS AND METHODS OF TREATING MUSCLE DYSTROPHY AVIDITY BIOSCIENCES, INC. (US) 2021-09-30 WO disclosed
WO-2021188390-A1 COMPOSITIONS AND METHODS OF TREATING FACIOSCAPULOHUMERAL MUSCULAR DYSTROPHY AVIDITY BIOSCIENCES, INC. (US) 2021-09-23 WO disclosed
EP-1581167-A4 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S DISEASE AND TARDIVE DYSKINESIAS ALPHA RES GROUP LLC (US) 2008-10-29 EP disclosed
EP-1581167-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S DISEASE AND TARDIVE DYSKINESIAS Alpha Research Group, LLC (US) 2005-10-05 EP disclosed
WO-2004004660-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON’S DISEASE AND TARDIVE DYSKINESIAS ALPHA RESEARCH GROUP, L.L.C. (US) 2004-01-15 WO disclosed