SCHEMBL13636197

SCHEMBL13636197

C=C(N)CCc1ccc(O)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 5/20 0.59
▸ MAPT P10636 4/20 0.59
▸ KDM4E B2RXH2 3/20 0.59
▸ MAPK1 P28482 3/20 0.59
▸ ADRA2A P08913 2/20 0.59
▸ DRD2 P14416 2/20 0.59
▸ DRD1 P21728 2/20 0.59
▸ DRD4 P21917 2/20 0.59
▸ DRD5 P21918 2/20 0.59
▸ SLC6A2 P23975 2/20 0.59
▸ DRD3 P35462 2/20 0.59
▸ RECQL P46063 2/20 0.59
▸ SLC6A3 Q01959 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ TP53 P04637 2/20 0.59
▸ THPO P40225 2/20 0.59
▸ HIF1A Q16665 2/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ ADRB2 P07550 1/20 0.59

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
SCHEMBL1655398 0.82 IAPP (0.56) ALOX15MAPTKDM4EMAPK1ADRA2A
SCHEMBL29997235 0.82 IAPP (0.56) ALOX15MAPTKDM4EMAPK1ADRA2A
SCHEMBL19199480 0.82 ALOX15 (0.59) ALOX15MAPTKDM4EMAPK1ADRA2A
SCHEMBL15177992 0.80 ALOX15 (0.63) ALOX15MAPTKDM4EMAPK1ADRA2A
SCHEMBL925636 0.80 IAPP (0.62) ALOX15MAPTKDM4EMAPK1ADRA2A
SCHEMBL30986806 0.80 IAPP (0.62) ALOX15MAPTKDM4EMAPK1ADRA2A
SCHEMBL14548001 0.80 ALOX15 (0.57) ALOX15MAPTKDM4EMAPK1ADRA2A
Hydrochloric Acid SCHEMBL10340417 0.78 IAPP (0.61) ALOX15MAPTKDM4EMAPK1ADRA2A
SCHEMBL107956 0.78 ALOX15 (0.80) ALOX15MAPTKDM4EMAPK1ADRA2A
SCHEMBL30631592 0.78 ALOX15 (0.80) ALOX15MAPTKDM4EMAPK1ADRA2A

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-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 — — EP disclosed
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