SCHEMBL11014140

SCHEMBL11014140

CCCCCC(N)c1cncnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.46
▸ CA2 P00918 2/20 0.42
▸ OPRM1 P35372 1/20 0.40
▸ SPHK1 Q9NYA1 2/20 0.34
▸ TP53 P04637 2/20 0.33
▸ LAP3 P28838 2/20 0.33
▸ CSNK1E P49674 1/20 0.33
▸ CYP2D6 P10635 2/20 0.32
▸ PLA2G1B P04054 1/20 0.32
▸ PLA2G2A P14555 1/20 0.32
▸ GMNN O75496 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL10818937 0.80 SIGMAR1 (0.36) OPRM1POLBMAPTTDP1L3MBTL1
SCHEMBL22650301 0.80 NR1I2 (0.37) SLC2A1OPRM1LMNATDP1L3MBTL1
SCHEMBL21515786 0.78 NR1I2 (0.39) SLC2A1OPRM1LMNA
SCHEMBL20222855 0.78 NR1I2 (0.39) SLC2A1OPRM1LMNA
SCHEMBL21100958 0.78 NR1I2 (0.39) SLC2A1OPRM1LMNA
SCHEMBL2258460 0.77 SLC6A4 (0.42) —
SCHEMBL18738893 0.77 NR1I2 (0.38) SLC2A1CA2LMNA
SCHEMBL21786531 0.76 NR1I2 (0.37) SLC2A1LMNA
SCHEMBL22222931 0.76 NR1I2 (0.47) SLC2A1LMNA
Bromide SCHEMBL9626445 0.74 MAPT (0.35) SLC2A1LMNAMAPT

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-4551460-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1985-11-05 — — US disclosed
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