SCHEMBL13756754

SCHEMBL13756754

O=C(Nc1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2)N1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.65
SMN1; SMN2 Q16637 2/20 0.57
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
FAAH O00519 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL13756748 0.89 CNR1 (0.65) CNR1SMN1; SMN2RAB9ANPC1MAPT
Cyclohexane SCHEMBL4696394 0.84 CNR1 (0.55) CNR1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL4697369 0.82 CNR1 (0.55) CNR1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL38658836 0.81 SMN1; SMN2 (0.64) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL4469473 0.79 CNR1 (1.00) CNR1ALDH1A1
SCHEMBL4465606 0.77 CNR1 (0.97) CNR1ALDH1A1
SCHEMBL4695062 0.76 CNR1 (0.65) CNR1MAPTMEN1KMT2AALDH1A1
SCHEMBL416553 0.75 SMN1; SMN2 (0.81) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL4697973 0.74 CNR1 (0.56) CNR1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL4051171 0.73 RAB9A (0.69) SMN1; SMN2RAB9ANPC1MEN1KMT2A

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
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed