SCHEMBL11131194

SCHEMBL11131194

COC(=O)CCc1ccc(CCCCCCN)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP4A11 Q02928 4/20 0.45
▸ CYP4F2 P78329 3/20 0.45
▸ HRH1 P35367 2/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ ADRB2 P07550 1/20 0.44
▸ ADRB1 P08588 1/20 0.44
▸ F2RL1 P55085 1/20 0.44
▸ IDO1 P14902 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42

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
SCHEMBL11139007 0.93 EPHX2 (0.46) CYP4A11CYP4F2HRH1HTR2AMAOA
SCHEMBL11131179 0.87 CYP4A11 (0.62) CYP4A11CYP4F2HRH1HTR2AMAOA
SCHEMBL11132203 0.86 HDAC8 (0.46) HDAC1
SCHEMBL26517824 0.86 TAAR1 (0.52) CYP4A11CYP4F2ADRB2ADRB1F2RL1
SCHEMBL27357681 0.85 FAAH (0.55) —
SCHEMBL26239880 0.85 FAAH (0.55) —
SCHEMBL7824247 0.85 FFAR1 (0.54) HDAC1
SCHEMBL9673644 0.85 CYP4A11 (0.63) CYP4A11CYP4F2ADRB2ADRB1F2RL1
Hydrochloric Acid SCHEMBL9265296 0.84 TAAR1 (0.50) CYP4A11CYP4F2ADRB2ADRB1F2RL1
SCHEMBL11133301 0.84 PTGER2 (0.45) CYP4A11CYP4F2ADRB2ADRB1

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
EP-0044541-B1 AMINOCARBOXYLIC ACIDS, AMINO ALCOHOLS, OR THE DERIVATIVES THEREOF, PROCESSES FOR PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION, CONTAINING AT LEAST ONE OF THESE COMPOUNDS TEIJIN LIMITED (JP) 1983-09-21 — — EP disclosed
EP-0044541-A1 Aminocarboxylic acids, amino alcohols, or the derivatives thereof, processes for production thereof, and pharmaceutical composition, containing at least one of these compounds TEIJIN LIMITED (JP) 1982-01-27 — — EP disclosed
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