SCHEMBL8901848

SCHEMBL8901848

O=CNCCC1CCC(CO)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADH1B P00325 4/20 0.38
▸ ADH1A P07327 4/20 0.38
▸ ADH7 P40394 4/20 0.38
▸ ADH1C P00326 3/20 0.38
▸ ADH4 P08319 2/20 0.38
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ LMNA P02545 1/20 0.32
▸ EPHX1 P07099 2/20 0.31

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
SCHEMBL1899269 0.89 — —
SCHEMBL3020274 0.80 — —
SCHEMBL5649841 0.80 ADH1B (0.58) ADH1BADH1AADH7ADH1CADH4
SCHEMBL4136214 0.79 GNAI3 (0.41) ADH1BADH1AADH7ADH1CADH4
SCHEMBL8901149 0.78 ADH1B (0.61) ADH1BADH1AADH7ADH1CADH4
SCHEMBL5646910 0.78 ADH1B (0.61) ADH1BADH1AADH7ADH1CADH4
SCHEMBL302803 0.78 ADH1B (0.61) ADH1BADH1AADH7ADH1CADH4
SCHEMBL5651899 0.76 — —
SCHEMBL17732249 0.75 KDM1A (0.38) ADH1BADH1AADH7ADH1CADH4
SCHEMBL3955872 0.74 GNAI3 (0.41) CHRM2CHRM1CHRM3

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
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 — — WO disclosed
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