SCHEMBL26023770

SCHEMBL26023770

CC(CCC(CCC(C)c1cccnc1)c1ccccn1)c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SLC6A2 P23975 3/20 0.39
▸ SLC6A4 P31645 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ SCN1A P35498 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ SLC6A3 Q01959 2/20 0.37
▸ CFTR P13569 1/20 0.37
▸ GOPC Q9HD26 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ AGTR2 P50052 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL20694212 0.91 KCNA5 (0.40) KCNA5TSHRSLC6A2SLC6A4CYP1A2
SCHEMBL18659830 0.91 KCNA5 (0.40) KCNA5TSHRSLC6A2SLC6A4CYP1A2
SCHEMBL12533650 0.90 KCNA5 (0.38) KCNA5TSHRSLC6A2SLC6A4CYP1A2
SCHEMBL20465414 0.86 KCNA5 (0.45) KCNA5TSHRSLC6A2SLC6A4CYP1A2
SCHEMBL18400269 0.86 KCNA5 (0.45) KCNA5TSHRSLC6A2SLC6A4CYP1A2
SCHEMBL18658742 0.84 SLC6A2 (0.46) KCNA5TSHRSLC6A2SLC6A4KDM4E
SCHEMBL20821027 0.81 KCNA5 (0.39) KCNA5TSHRSLC6A2SLC6A4CHRM2
SCHEMBL20098043 0.80 CFTR (0.57) KCNA5SLC6A2SLC6A4KDM4ESLC6A3
SCHEMBL25492608 0.80 CYP3A4 (0.41) KCNA5TSHRSLC6A2SLC6A4CYP1A2
SCHEMBL13428369 0.75 SLC6A2 (0.55) TSHRSLC6A2SLC6A4CYP1A2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154499-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-08-17 — — WO disclosed
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