SCHEMBL3344871

SCHEMBL3344871

NCCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MC4R P32245 3/20 0.55
MC1R Q01726 1/20 0.55
MC5R P33032 2/20 0.51
MC3R P41968 2/20 0.51
ERAP2 Q6P179 1/20 0.51
P2RY14 Q15391 1/20 0.51
ACE P12821 1/20 0.50
ITGB2 P05107 1/20 0.50
ICAM1 P05362 1/20 0.50
ITGAL P20701 1/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.50
GHSR Q92847 1/20 0.49
P4HB P07237 1/20 0.49

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
SCHEMBL7271569 1.00 MC4R (0.55) MC4RMC1RMC5RMC3RERAP2
SCHEMBL9752019 0.89 ALDH1A1 (0.58) MC4RMC1RMC5RMC3R
SCHEMBL1129962 0.89 P2RY14 (0.53) ERAP2P2RY14ACEITGB2ICAM1
SCHEMBL4745190 0.87 P2RY14 (0.54) ERAP2P2RY14ACEALOX15P4HB
SCHEMBL5809845 0.86 MC4R (0.47) MC4RMC1RMC5RMC3RERAP2
SCHEMBL2934308 0.85 ERAP2 (0.52) ERAP2P2RY14ACEITGB2ICAM1
SCHEMBL22322144 0.85 ERAP2 (0.52) ERAP2P2RY14ACEITGB2ICAM1
SCHEMBL31258750 0.85 ERAP2 (0.52) ERAP2P2RY14ACEITGB2ICAM1
Tryptamine SCHEMBL13278244 0.85 MPO (0.52) ERAP2P2RY14ACEITGB2ICAM1
SCHEMBL17848778 0.85 ACE (0.54) ERAP2P2RY14ACEITGB2ICAM1

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-20100093538-A1 Pseudomonas Bacterium NOVOZYMES A/S (DK) 2010-04-15 US disclosed
WO-2010037072-A1 PSEUDOMONAS BACTERIUM NOVOZYMES A/S (DK) 2010-04-01 WO disclosed
EP-0528312-A2 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-24 EP disclosed