SCHEMBL8069663

SCHEMBL8069663

N=C(N)NCCC[C@H](NC(=O)CNNCCCc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
F10 P00742 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
PRSS1 P07477 1/20 0.43
MMP8 P22894 1/20 0.43
GGT1 P19440 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
ALB P02768 3/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CNR1 P21554 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL8078211 0.88 PLAAT3 (0.49) KMT2AMAPTNPC1RAB9A
SCHEMBL8064045 0.86 C3AR1 (0.55) C3AR1CNR1
SCHEMBL8423661 0.85 CTSG (0.54) C3AR1L3MBTL1ALBLMNA
Hydrochloric Acid SCHEMBL7302838 0.84 F2 (0.50) C3AR1L3MBTL1GAAHPGDALB
SCHEMBL7786368 0.83 FOLH1 (0.49) C3AR1RAB9A
SCHEMBL7786354 0.83 FOLH1 (0.49) C3AR1RAB9A
SCHEMBL21722102 0.83 GGT1 (0.61) C3AR1L3MBTL1F10GAAHPGD
SCHEMBL4407484 0.83 C3AR1 (0.53) C3AR1GAAHPGDCNR1
SCHEMBL10277213 0.83 C3AR1 (0.53) C3AR1GAAHPGDCNR1
SCHEMBL30139852 0.81 C3AR1 (0.51) C3AR1F10KMT2A

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