SCHEMBL9537073

SCHEMBL9537073

[CH2]CN1CCC(Nc2nc3ccccc3n2Cc2cnc(C)o2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 8/20 0.51
KCNH2 Q12809 10/20 0.47
EED O75530 2/20 0.46
MEN1 O00255 1/20 0.46
MLNR O43193 1/20 0.46
CACNA1F O60840 1/20 0.46
USP2 O75604 1/20 0.46
ABCB11 O95342 1/20 0.46
EGFR P00533 1/20 0.46
LMNA P02545 1/20 0.46
HLA-A P04439 1/20 0.46
ERBB2 P04626 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
ABCB1 P08183 1/20 0.46
ADRB1 P08588 1/20 0.46

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
SCHEMBL8162459 0.89 SSTR5 (0.48) SSTR5KCNH2EEDMEN1MLNR
SCHEMBL9304456 0.89 KCNH2 (0.51) SSTR5KCNH2EEDMEN1MLNR
SCHEMBL14173615 0.89 SSTR5 (0.51) SSTR5KCNH2EEDMEN1MLNR
Water SCHEMBL9303347 0.88 KCNH2 (0.48) SSTR5KCNH2EEDMEN1MLNR
Water SCHEMBL9302746 0.88 KCNH2 (0.48) SSTR5KCNH2EEDMEN1MLNR
Water SCHEMBL9303352 0.88 KCNH2 (0.48) SSTR5KCNH2EEDMEN1MLNR
Water SCHEMBL4983352 0.88 KCNH2 (0.51) SSTR5KCNH2EEDMEN1MLNR
Hydrochloric Acid SCHEMBL9303379 0.87 KCNH2 (0.48) SSTR5KCNH2EEDMEN1MLNR
Hydrochloric Acid SCHEMBL4987342 0.87 KCNH2 (0.51) SSTR5KCNH2EEDMEN1MLNR
SCHEMBL9303969 0.85 KCNH2 (0.60) SSTR5KCNH2EEDMEN1MLNR

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
EP-0539421-A1 NOVEL OXAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-05-05 EP disclosed