SCHEMBL27345554

SCHEMBL27345554

CCCCCC(CCCCN)NCCCN

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
EPHX1 P07099 1/20 0.48
GNAI3 P08754 1/20 0.45
GNAO1 P09471 1/20 0.45
GNAI1 P63096 1/20 0.45
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
OPRM1 P35372 1/20 0.38
DPP7 Q9UHL4 1/20 0.37
TLR2 O60603 1/20 0.37

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
SCHEMBL9171472 0.96 DNM1 (0.48) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL27603365 0.96 DNM1 (0.48) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL27322919 0.96 DNM1 (0.42) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL31090410 0.94 DNM1 (0.52) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL22205253 0.94 DNM1 (0.46) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL22205254 0.92 DNM1 (0.44) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL7414017 0.90 TSHR (0.48) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL31090424 0.90 GNAI3 (0.47) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL9817625 0.88 DNM1 (0.44) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL4562239 0.87 CA12 (0.42) DNM1MEN1KMT2ATSHR

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
CN-1045976-A The alkylamide derivatives of the teicoplanin of new replacement LEPETIT SPA (IT) 1990-10-10 CN disclosed