SCHEMBL2361091

SCHEMBL2361091

CNc1ncc(CN2CCC(c3cc(F)cc(F)c3F)C2)s1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OGA O60502 15/20 0.42
ACKR3 P25106 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
OPRK1 P41145 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL15720108 0.81 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1
SCHEMBL1665759 0.81 ALDH1A1 (0.35) OGAALDH1A1PSEN1PSEN2APH1B
SCHEMBL25625991 0.75 ALDH1A1 (0.56) OGAACKR3SMN1; SMN2HTTOPRK1
SCHEMBL21370279 0.74 OGA (0.44) OGAACKR3SMN1; SMN2HTTOPRK1
SCHEMBL21369566 0.74 OGA (0.44) OGAACKR3SMN1; SMN2HTTOPRK1
SCHEMBL21369427 0.73 OGA (0.49) OGAACKR3SMN1; SMN2HTTOPRK1
SCHEMBL21369604 0.73 OGA (0.41) OGAACKR3SMN1; SMN2HTTALDH1A1
SCHEMBL24862748 0.73 OGA (0.48) OGAACKR3SMN1; SMN2HTTOPRK1
SCHEMBL21370130 0.72 ALDH1A1 (0.67) OGASMN1; SMN2HTTALDH1A1
SCHEMBL21370128 0.72 OGA (0.40) OGAACKR3SMN1; SMN2HTTOPRK1

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-2533645-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION The Johns Hopkins University (US) 2012-12-19 EP disclosed
WO-2011100373-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2011-08-18 WO disclosed