SCHEMBL7561102

SCHEMBL7561102

N=C(N)NCCC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 2/20 0.68
▸ F2R P25116 2/20 0.62
▸ PYGL P06737 1/20 0.55
▸ CCKBR P32239 2/20 0.55
▸ MMP3 P08254 1/20 0.51
▸ CYP51A1 Q16850 1/20 0.50
▸ CCKAR P32238 1/20 0.50

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
SCHEMBL7560327 1.00 PTGER4 (0.68) PTGER4F2RPYGLCCKBRMMP3
Phenylalanine Amide SCHEMBL7593779 0.87 PTGER4 (0.60) PTGER4PYGLCCKBRCCKAR
SCHEMBL10700826 0.82 F2R (0.60) PTGER4F2RPYGLCCKBRCCKAR
SCHEMBL7535795 0.81 NPY4R (0.59) —
SCHEMBL30064048 0.81 NPY4R (0.59) —
SCHEMBL3356923 0.80 NPY4R (0.64) —
SCHEMBL30045851 0.80 KISS1R (0.61) —
SCHEMBL13563450 0.80 NPY4R (0.64) —
SCHEMBL3356931 0.80 NPY4R (0.64) —
SCHEMBL12792618 0.79 KISS1R (0.62) —

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
WO-2002024192-A1 DIPEPTIDE LIGANDS OF THE NPFF RECEPTOR FOR TREATING PAIN AND HYPERALGESIA INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2002-03-28 — — WO claimed
WO-2002024192-A1 DIPEPTIDE LIGANDS OF THE NPFF RECEPTOR FOR TREATING PAIN AND HYPERALGESIA INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2002-03-28 — — WO disclosed
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