SCHEMBL2304374

SCHEMBL2304374

N=C(N)NCCC[C@H](N)C(=O)N(C(=O)c1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 6/20 0.39
MC5R P33032 5/20 0.39
MC3R P41968 5/20 0.39
MC1R Q01726 4/20 0.39
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
DPP7 Q9UHL4 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F2 P00734 2/20 0.35
F10 P00742 2/20 0.35
F7 P08709 2/20 0.35
CTSG P08311 1/20 0.35
KDM4E B2RXH2 1/20 0.34
OPRM1 P35372 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HDAC3 O15379 2/20 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
SCHEMBL10419724 0.87 CTSG (0.31) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL7642635 0.87 MC4R (0.42) MC4RMC5RMC3RMC1RDPP8
SCHEMBL6989412 0.82 QRFPR (0.38) MC4RMC3RMC1RPDE4APDE4B
SCHEMBL27797839 0.82 MC4R (0.38) MC4RMC5RMC3RMC1RF10
SCHEMBL1673135 0.82 MC4R (0.38) MC4RMC5RMC3RMC1RF10
SCHEMBL9200915 0.82 DPP8 (0.39) MC4RMC5RMC3RMC1RDPP8
SCHEMBL7717724 0.82 ALDH1A1 (0.44) MC4RDPP8DPP9ALDH1A1MEN1
SCHEMBL22346178 0.82 ALDH1A1 (0.44) MC4RDPP8DPP9ALDH1A1MEN1
Hydrochloric Acid SCHEMBL27842009 0.81 ALDH1A1 (0.43) MC4RDPP8DPP9ALDH1A1MEN1
SCHEMBL29094090 0.77 OPRM1 (0.41) MC4RMC5RMC3RMC1RF2

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-2349199-A2 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF PERIODONTAL DISEASES Akademia Medyczna Im. Piastow Slaskich We Wroclawiu (PL) 2011-08-03 EP disclosed
WO-2010024702-A2 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF PERIODONTAL DISEASES AKADEMIA MEDYCZNA IM. PIASTOW SLASKICH WE WROCLAWIU (PL) 2010-03-04 WO disclosed