SCHEMBL2719213

SCHEMBL2719213

CN1CCCC1(CCCCO)c1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
HSD11B1 P28845 1/20 0.39
EPHX2 P34913 2/20 0.36
EPHX1 P07099 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.35
CCR1 P32246 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
P2RX7 Q99572 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
SCHEMBL5925778 0.87 TDP1 (0.37) EPHX2EPHX1MEN1KMT2AGAA
SCHEMBL968705 0.85 MEN1 (0.39) EPHX2EPHX1MEN1KMT2ACCR1
SCHEMBL157125 0.85 MEN1 (0.39) EPHX2EPHX1MEN1KMT2ACCR1
SCHEMBL159477 0.84 MEN1 (0.36) EPHX2EPHX1MEN1KMT2AGAA
SCHEMBL156223 0.84 MEN1 (0.36) EPHX2EPHX1MEN1KMT2AGAA
SCHEMBL1538392 0.81 MEN1 (0.37) EPHX2EPHX1MEN1KMT2ACHRM2
SCHEMBL156155 0.81 MEN1 (0.37) EPHX2EPHX1MEN1KMT2ACHRM2
SCHEMBL157279 0.80 MEN1 (0.36) EPHX2EPHX1MEN1KMT2ACHRM2
SCHEMBL523968 0.80 MEN1 (0.36) EPHX2EPHX1MEN1KMT2ACHRM2
SCHEMBL11307514 0.80 MEN1 (0.43) EPHX2EPHX1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640190-A1 MODIFIED NICOTINIC COMPOUNDS AND RELATED METHODS Selecta Biosciences, Inc. (US) 2013-09-25 EP disclosed
WO-2012061717-A1 MODIFIED NICOTINIC COMPOUNDS AND RELATED METHODS SELECTA BIOSCIENCES, INC. (US) 2012-05-10 WO disclosed