SCHEMBL7575576

SCHEMBL7575576

[O]CC(O)CN1CCCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CXCR4 P61073 6/20 0.44
▸ MAPT P10636 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ RAD52 P43351 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ CCR2 P41597 1/20 0.40
▸ CXCL12 P48061 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ BAX Q07812 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ TP53 P04637 1/20 0.38

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
SCHEMBL1361158 0.92 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2AMAPTATM
SCHEMBL20307045 0.85 MEN1 (0.68) SMN1; SMN2MEN1KMT2ACXCR4MAPT
SCHEMBL9493787 0.83 MAPT (0.67) SMN1; SMN2MEN1KMT2ACXCR4MAPT
SCHEMBL10476 0.82 MEN1 (0.68) SMN1; SMN2MEN1KMT2AMAPTATM
SCHEMBL4382056 0.82 MEN1 (0.68) SMN1; SMN2MEN1KMT2AMAPTATM
SCHEMBL7571912 0.82 — —
SCHEMBL4381893 0.82 MEN1 (0.68) SMN1; SMN2MEN1KMT2AMAPTATM
SCHEMBL7572149 0.80 MEN1 (0.73) MEN1KMT2AMAPTATMHSD17B10
SCHEMBL5218126 0.80 MEN1 (0.73) MEN1KMT2AMAPTATMHSD17B10
SCHEMBL4376156 0.80 MEN1 (0.73) MEN1KMT2AMAPTATMHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002092578-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 — — WO claimed
WO-2002092578-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 — — WO disclosed
WO-2002092577-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 — — WO disclosed
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