SCHEMBL9557015

SCHEMBL9557015

O=C(CCCCCCc1ccc(F)cc1)N1CC=CCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 3/20 0.53
▸ MAOA P21397 1/20 0.49
▸ CACNA1F O60840 2/20 0.43
▸ DRD4 P21917 2/20 0.43
▸ DRD5 P21918 2/20 0.43
▸ HRH2 P25021 2/20 0.43
▸ ADRA1D P25100 2/20 0.43
▸ HTR2A P28223 2/20 0.43
▸ HTR7 P34969 2/20 0.43
▸ ADRA1A P35348 2/20 0.43
▸ HRH1 P35367 2/20 0.43
▸ ADRA1B P35368 2/20 0.43
▸ OPRM1 P35372 2/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ OPRD1 P41143 2/20 0.43
▸ OPRK1 P41145 2/20 0.43
▸ HTR6 P50406 2/20 0.43
▸ CACNA1D Q01668 2/20 0.43
▸ SLC6A3 Q01959 2/20 0.43
▸ CACNA1S Q13698 2/20 0.43

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
SCHEMBL9557044 0.99 NAAA (0.54) NAAAMAOACACNA1FDRD4DRD5
SCHEMBL9556903 0.95 MAOA (0.51) NAAAMAOACACNA1FDRD4DRD5
SCHEMBL9557186 0.87 NAAA (0.55) NAAA
SCHEMBL9557053 0.86 NAAA (0.53) NAAAMAOA
SCHEMBL9557038 0.85 TRPV1 (0.43) NAAATRPV1
SCHEMBL9557179 0.85 MAOA (0.52) NAAAMAOA
SCHEMBL9556815 0.84 NAAA (0.51) NAAAMAOACACNA1FDRD4DRD5
SCHEMBL9557091 0.84 MAOA (0.52) MAOA
SCHEMBL9557185 0.82 MAOA (0.53) MAOA
SCHEMBL9556940 0.81 NAAA (0.48) NAAA

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
US-5198450-A PHENYLALKANOYLAMINE DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND USAGE OF THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1993-03-30 — — US disclosed
EP-0424528-A1 PHENYLALKANOYLAMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 — — EP disclosed
Send feedback