SCHEMBL6421750

SCHEMBL6421750

Cc1cccc(CCOC(=O)C(=O)On2cnc3c2CCN(C(=O)O)C3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CREBBP Q92793 3/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
GRIN2B Q13224 1/20 0.35
BRD4 O60885 1/20 0.35
EP300 Q09472 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
POLB P06746 1/20 0.34
ALOX5 P09917 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CYP3A4 P08684 2/20 0.34
RECQL P46063 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FAAH O00519 1/20 0.34
CYP1A2 P05177 1/20 0.34
GRM5 P41594 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
SCHEMBL6420512 0.91 GRIN2B (0.40) CHRM5CHRM1CREBBPLMNATP53
SCHEMBL6422824 0.83 CHRM5 (0.41) CHRM5CHRM1LMNAGRIN2BPTGDR2
SCHEMBL6423488 0.81 CHRM5 (0.39) CHRM5CHRM1PTGDR2ALOX5CYP1A2
SCHEMBL6420101 0.80 KDM4E (0.38) KDM4EALDH1A1FAAHCYP1A2
SCHEMBL6422956 0.80 CHRM5 (0.42) CHRM5CHRM1HRH3KDM4EALDH1A1
SCHEMBL6419655 0.80 PTGDR2 (0.37) LMNAPTGDR2POLBCYP3A4RECQL
SCHEMBL6422626 0.80 PTGDR2 (0.37) LMNAGRIN2BPTGDR2KDM4EALDH1A1
SCHEMBL6419627 0.79 HRH3 (0.35) PTGDR2HRH3FAAHGAA
SCHEMBL6423530 0.78 PTGDR2 (0.36) GRIN2BPTGDR2ALDH1A1TDP1
SCHEMBL6420064 0.77 GRIN2B (0.38) CHRM5CHRM1GRIN2BPTGDR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908926-B1 Substituted imidazoles, their preparation and use NOVO NORDISK A/S (DK) 2005-06-21 US disclosed
EP-1173438-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2002-01-23 EP disclosed
WO-2000063208-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-10-26 WO disclosed