SCHEMBL11046058

SCHEMBL11046058

O=C1CC(Br)C(=O)N1C(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33

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
Bromide SCHEMBL11047588 0.81 CHRM2 (0.33) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL11291808 0.75 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL11049348 0.69 PKM (0.34) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL11045006 0.69 CTSL (0.43) ALDH1A1
SCHEMBL27546731 0.66 LMNA (0.35) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL11772976 0.66 CHRM2 (0.35) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL8122326 0.66 CHRM2 (0.38) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL7414030 0.64 CHRM2 (0.45) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL11041894 0.64 CTRB1 (0.42) ALDH1A1
SCHEMBL12474855 0.63 NPC1 (0.49) ALDH1A1POLB

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-4465844-A PEPTIDE, GERMICIDE, DISINFECTANT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-08-14 US disclosed
US-4436918-A FROM A 2,5-DIOXOPYRROLIDINE COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-03-13 US disclosed