SCHEMBL12533650

SCHEMBL12533650

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 5/20 0.38
▸ TSHR P16473 1/20 0.37
▸ SLC6A2 P23975 3/20 0.36
▸ SLC6A4 P31645 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ SCN1A P35498 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ SCN3A Q9NY46 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ SLC6A3 Q01959 2/20 0.34
▸ CFTR P13569 1/20 0.34
▸ GOPC Q9HD26 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ MEN1 O00255 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
SCHEMBL18659830 0.91 KCNA5 (0.40) KCNA5TSHRSLC6A2SLC6A4CYP1A2
SCHEMBL20694212 0.91 KCNA5 (0.40) KCNA5TSHRSLC6A2SLC6A4CYP1A2
SCHEMBL26023770 0.90 KCNA5 (0.40) KCNA5TSHRSLC6A2SLC6A4CYP1A2
SCHEMBL18400269 0.79 KCNA5 (0.45) KCNA5TSHRSLC6A2SLC6A4CYP1A2
SCHEMBL20465414 0.79 KCNA5 (0.45) KCNA5TSHRSLC6A2SLC6A4CYP1A2
SCHEMBL18658742 0.77 SLC6A2 (0.46) KCNA5TSHRSLC6A2SLC6A4KDM4E
SCHEMBL25492608 0.76 CYP3A4 (0.41) KCNA5TSHRSLC6A2SLC6A4CYP1A2
SCHEMBL24611172 0.75 CFTR (0.46) KCNA5SLC6A2SLC6A4KDM4ESLC6A3
SCHEMBL24959978 0.74 KCNA5 (0.38) KCNA5SLC6A2SLC6A4CHRM2SCN1A
SCHEMBL22645178 0.74 KCNA5 (0.38) KCNA5SLC6A2SLC6A4CHRM2SCN1A

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
US-7955718-B2 Organic EL element and process for manufacture of organic EL element TDK CORPORATION (JP) 2011-06-07 — — US disclosed
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