SCHEMBL6423488

SCHEMBL6423488

O=C(OCCc1ccsc1)C(=O)On1cnc2c1CCN(C(=O)O)C2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDK2 Q15119 1/20 0.31
PTGES O14684 1/20 0.30
ALOX5 P09917 1/20 0.30
P2RX7 Q99572 1/20 0.30
NAMPT P43490 1/20 0.30
LNPEP Q9UIQ6 1/20 0.30
PTPN2 P17706 1/20 0.30
PTPN1 P18031 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
SCHEMBL6419655 0.83 PTGDR2 (0.37) PTGDR2CYP1A2CYP2C9CYP2C19PDK2
SCHEMBL6421750 0.81 CHRM5 (0.43) CHRM5CHRM1PTGDR2CYP1A2ALOX5
SCHEMBL6422824 0.79 CHRM5 (0.41) CHRM5CHRM1PTGDR2PDK2ALOX5
SCHEMBL6422956 0.78 CHRM5 (0.42) CHRM5CHRM1
SCHEMBL6420249 0.77 PTGDR2 (0.36) PTGDR2PDK2P2RX7NAMPT
SCHEMBL6419465 0.77 PDK2 (0.36) CHRM5CHRM1PTGDR2CYP2C9PDK2
SCHEMBL6420518 0.76 CHRM2 (0.36) CHRM5CHRM1PDK2
SCHEMBL6419627 0.74 HRH3 (0.35) PTGDR2PDK2P2RX7
SCHEMBL6421015 0.74 GRIN2B (0.38) CYP1A2CYP2C9CYP2C19PDK2
SCHEMBL6420631 0.74 PTGDR2 (0.34) CHRM5CHRM1PTGDR2PDK2P2RX7

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