SCHEMBL24901344

SCHEMBL24901344

CCCCCC(CCCC)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.40
KCNA5 P22460 2/20 0.40
LMNA P02545 4/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 2/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 2/20 0.34
CYP1A2 P05177 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
HTR2A P28223 1/20 0.34
SCN1A P35498 1/20 0.34
HTR2B P41595 1/20 0.34
SCN2A Q99250 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
SCHEMBL18403079 0.96 KCNH2 (0.43) KCNH2KCNA5LMNAALDH1A1KMT2A
SCHEMBL19505906 0.96 KCNH2 (0.43) KCNH2KCNA5LMNAALDH1A1KMT2A
SCHEMBL27272370 0.96 KCNH2 (0.43) KCNH2KCNA5LMNAALDH1A1KMT2A
SCHEMBL23381218 0.96 KCNH2 (0.43) KCNH2KCNA5LMNAALDH1A1KMT2A
SCHEMBL19865652 0.96 KCNH2 (0.43) KCNH2KCNA5LMNAALDH1A1KMT2A
SCHEMBL18811892 0.96 KCNH2 (0.43) KCNH2KCNA5LMNAALDH1A1KMT2A
SCHEMBL23920816 0.92 KCNH2 (0.41) KCNH2KCNA5LMNAALDH1A1KMT2A
SCHEMBL9224767 0.92 KCNH2 (0.41) KCNH2KCNA5LMNAALDH1A1KMT2A
SCHEMBL25922262 0.92 KCNH2 (0.39) KCNH2KCNA5LMNAALDH1A1KMT2A
SCHEMBL25933515 0.92 KCNH2 (0.39) KCNH2KCNA5LMNAALDH1A1KMT2A

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
EP-4119138-A1 DHODH INHIBITORS AND THEIR USE AS ANTIVIRAL AGENTS Universität Hamburg (DE) 2023-01-18 EP disclosed