SCHEMBL5195500

SCHEMBL5195500

N#Cc1ccc2c(c1)Oc1ccccc1C2(O)C1CCN(Cc2ccccn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CHRM4 P08173 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ F10 P00742 2/20 0.38
▸ SIGMAR1 Q99720 3/20 0.38
▸ TRPV6 Q9H1D0 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ CXCR3 P49682 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL5195490 0.71 L3MBTL1 (0.40) L3MBTL1CHRM4KDM4ESMN1; SMN2SIGMAR1
SCHEMBL5094870 0.70 SIGMAR1 (0.39) L3MBTL1CHRM4KDM4ESMN1; SMN2SIGMAR1
SCHEMBL19154335 0.67 CHRM3 (0.49) L3MBTL1SMN1; SMN2MEN1CYP2C19
SCHEMBL3926075 0.65 KDM4E (0.60) KDM4EDRD4POLBCYP2C19
SCHEMBL5112122 0.65 CHRM1 (0.46) L3MBTL1CHRM4KDM4ESMN1; SMN2TRPV6
SCHEMBL2306081 0.64 SCN9A (0.71) —
SCHEMBL7397996 0.63 DRD2 (0.72) —
SCHEMBL7398002 0.63 DRD2 (0.72) —
SCHEMBL7397998 0.63 DRD2 (0.72) —
SCHEMBL3150994 0.62 KDM4E (0.65) L3MBTL1KDM4ESMN1; SMN2SIGMAR1TRPV6

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-1836196-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-26 — — EP disclosed
WO-2006069275-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 — — WO disclosed
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