SCHEMBL4621138

SCHEMBL4621138

CCCNCCC(C)(C)N

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
PAOX Q6QHF9 1/20 0.32
GRM4 Q14833 1/20 0.31
ADH1B P00325 1/20 0.31
ADH1A P07327 1/20 0.31
ADH7 P40394 1/20 0.31
ANPEP P15144 1/20 0.30

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
SCHEMBL1427216 0.89 GRM4 (0.36) ALDH1A1GRM4
SCHEMBL3606322 0.85 TSHR (0.42) ALDH1A1TSHRPAOX
SCHEMBL10454333 0.85 TSHR (0.48) ALDH1A1TSHRADH1BADH1AADH7
Tert-Butylamine SCHEMBL21925351 0.83 TSHR (0.40) ALDH1A1TSHRPAOXADH1BADH1A
SCHEMBL23922980 0.81 TSHR (0.56) ALDH1A1TSHRADH1BADH1AADH7
SCHEMBL29735882 0.81 TSHR (0.56) ALDH1A1TSHRADH1BADH1AADH7
SCHEMBL8278131 0.81
SCHEMBL15199339 0.79 CA12 (0.53) ALDH1A1TSHRGRM4
SCHEMBL4305760 0.78 TSHR (0.36) ALDH1A1TSHRPAOXADH1BADH1A
SCHEMBL7346758 0.77 GRM4 (0.34) ALDH1A1GRM4

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-1885718-A1 FLUORESCENT CHEMICAL COMPOUNDS HAVING HIGH SELECTIVITY FOR DOUBLE STRANDED DNA, AND METHODS FOR THEIR USE Molecular Probes, Inc. (US) 2008-02-13 EP disclosed
WO-2006124816-A1 FLUORESCENT CHEMICAL COMPOUNDS HAVING HIGH SELECTIVITY FOR DOUBLE STRANDED DNA, AND METHODS FOR THEIR USE MOLECULAR PROBES, INC. (US) 2006-11-23 WO disclosed