SCHEMBL14613

SCHEMBL14613

NCCCNCc1ccc(-c2cn3c(=O)cc(-c4ccc(CF)cc4)[nH]c3nc2=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.34
MC5R P33032 1/20 0.34
MC3R P41968 1/20 0.34
KAT2B Q92831 1/20 0.30
PARP1 P09874 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
SCHEMBL19573483 0.91 MC4R (0.34) MC4RMC5RMC3RKAT2B
SCHEMBL16687699 0.90 MC4R (0.33) MC4RMC5RMC3R
SCHEMBL11960642 0.90 HDAC1 (0.34) MC4RMC5RMC3RPARP1
SCHEMBL11960639 0.88 CHRM2 (0.38) MC4RMC5RMC3R
SCHEMBL11208 0.88 MC4R (0.33) MC4RMC5RMC3RKAT2BPARP1
SCHEMBL11960638 0.88 BRD4 (0.37) MC4RMC5RMC3R
SCHEMBL20124107 0.88 HDAC1 (0.34) MC4RMC5RMC3RKAT2B
SCHEMBL11960641 0.87 MARS1 (0.33) MC4RMC5RMC3R
SCHEMBL11920 0.87 MC4R (0.37) MC4RMC5RMC3R
SCHEMBL20124187 0.86 MC4R (0.32) MC4RMC5RMC3RPARP1

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-9023843-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-05-05 US disclosed
WO-2011047320-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 WO disclosed