SCHEMBL9865113

SCHEMBL9865113

CC(C)(C)OC(=O)C1CCCCCCN1C1CCCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.42
CNR1 P21554 4/20 0.42
HPGD P15428 1/20 0.41
EPHX1 P07099 1/20 0.39
CASP3 P42574 1/20 0.38
PREP P48147 2/20 0.38
FKBP1A P62942 4/20 0.37
HSD17B10 Q99714 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL11473706 0.92 EPHX1 (0.40) CNR2CNR1HPGDEPHX1CASP3
SCHEMBL30404411 0.89 CASP3 (0.38) CNR2CNR1HPGDEPHX1CASP3
SCHEMBL6625677 0.89 CASP3 (0.38) CNR2CNR1HPGDEPHX1CASP3
SCHEMBL15919532 0.80 HPGD (0.40) HPGDEPHX1CASP3PREPFKBP1A
SCHEMBL31040357 0.79 EPHX1 (0.51) CNR2CNR1HPGDEPHX1PREP
SCHEMBL24434718 0.78 POLB (0.44) CNR2CNR1FKBP1A
SCHEMBL2261903 0.78 CASP3 (0.43) HPGDEPHX1CASP3PREPFKBP1A
SCHEMBL17595518 0.78 HPGD (0.41) HPGDEPHX1CASP3PREPFKBP1A
SCHEMBL17595517 0.78 HPGD (0.41) HPGDEPHX1CASP3PREPFKBP1A
SCHEMBL29894062 0.78 HPGD (0.41) HPGDEPHX1CASP3PREPFKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5061722-A Hypotensive agents; e.g. ramipril HOECHST AG (DE) 1991-10-29 US disclosed
US-5053519-A Hypotensive agents; diuretics; vasodilation HOECHST AG (DE) 1991-10-01 US disclosed
US-4879403-A AMINATION, CRYSTALLIZATION HOECHST AKTIENGESELLSCHAFT (DE) 1989-11-07 US disclosed
US-4727160-A HYPOTENSIVE INTERMEDIATES HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-23 US disclosed