SCHEMBL4706437

SCHEMBL4706437

CC(CC1CC1)NCc1ccccc1NC(=O)Oc1cc2ccccc2s1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
F10 P00742 3/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
F9 P00740 2/20 0.33
PLAU P00749 2/20 0.33
OPRM1 P35372 1/20 0.33
KMT2A Q03164 1/20 0.33
NPY5R Q15761 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
MAOB P27338 1/20 0.32
NPR1 P16066 1/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL14343632 0.94 CTSK (0.35) KDM4EALDH1A1TDP1F10TAS1R3
SCHEMBL4708769 0.85 KDM4C (0.40) KDM4EOPRM1KMT2ANPY5R
SCHEMBL4708832 0.85 KDM4C (0.38) KDM4EOPRM1KMT2ANPY5R
SCHEMBL4707353 0.83 CNR1 (0.36) KDM4EALDH1A1OPRM1KMT2ANPY5R
SCHEMBL4190982 0.83 HTR1A (0.36) KDM4EALDH1A1TDP1TAS1R3TAS1R1
SCHEMBL4707716 0.82 GCK (0.35) KDM4EALDH1A1OPRM1KMT2ANPY5R
SCHEMBL4187987 0.82 OPRM1 (0.46) F10TAS1R3TAS1R1OPRM1NPY5R
SCHEMBL14343589 0.81 CNR1 (0.38)
SCHEMBL4706438 0.80 F10 (0.40) F10TAS1R3TAS1R1F9PLAU
SCHEMBL4200116 0.79 HCAR1 (0.38) KDM4EALDH1A1KMT2A

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
EP-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP disclosed
EP-1879877-A2 ANTIMICROBIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP disclosed
WO-2006117762-A2 ANTIMICROBIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed