SCHEMBL8078211

SCHEMBL8078211

COc1ccc(CCNNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)cc1OC.N=C(N)NCCC[C@H](NC(=O)CNNCCCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.49
PLAAT5 Q96KN8 1/20 0.49
PLAAT2 Q9NWW9 1/20 0.49
PLAAT4 Q9UL19 1/20 0.49
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CTSD P07339 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
NAMPT P43490 1/20 0.42

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
SCHEMBL8074451 0.94 CA12 (0.44) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL8069663 0.88 C3AR1 (0.47) NPC1RAB9AMAPTKMT2A
SCHEMBL8064045 0.76 C3AR1 (0.55) MTNR1AMTNR1B
SCHEMBL8423661 0.75 CTSG (0.54)
Hydrochloric Acid SCHEMBL7302838 0.74 F2 (0.50) KDM4E
SCHEMBL7786354 0.73 FOLH1 (0.49) ALDH1A1SMN1; SMN2RAB9A
SCHEMBL7786368 0.73 FOLH1 (0.49) ALDH1A1SMN1; SMN2RAB9A
SCHEMBL21722102 0.73 GGT1 (0.61) KDM4ENPC1RAB9AKMT2A
SCHEMBL10277213 0.73 C3AR1 (0.53)
SCHEMBL4407484 0.73 C3AR1 (0.53)

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-1017664-A1 C3A RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-12 EP disclosed
WO-1999015490-A1 C3A RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 WO disclosed