SCHEMBL7532236

SCHEMBL7532236

N=C(N)NCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC(Cc1ccccc1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
BACE1 P56817 1/20 0.49
NPY4R P50391 10/20 0.49
NPY1R P25929 7/20 0.49
NPY5R Q15761 7/20 0.49
NPY2R P49146 4/20 0.49
CA2 P00918 1/20 0.48
FOLH1 Q04609 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HPGDS O60760 1/20 0.46

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
SCHEMBL7535309 0.87 KISS1R (0.54) KISS1RNPY4RNPY1RNPY5RNPY2R
SCHEMBL7529600 0.87 KISS1R (0.56) KISS1RNPY4RNPY1RNPY5RNPY2R
SCHEMBL7525098 0.87 KISS1R (0.54) KISS1RNPY4RNPY1RNPY5RNPY2R
SCHEMBL7532875 0.84 KISS1R (0.54) KISS1RRAB9ANPY4RNPY1RNPY5R
SCHEMBL7113842 0.84 NPY4R (0.44) KISS1RNPY4RNPY1RNPY5RNPY2R
SCHEMBL27319796 0.84 SSTR3 (0.52) KISS1RNPC1RAB9ASMN1; SMN2TP53
SCHEMBL521932 0.84 SSTR3 (0.52) KISS1RNPC1RAB9ASMN1; SMN2TP53
SCHEMBL7106396 0.84 SSTR3 (0.52) KISS1RNPC1RAB9ASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL566787 0.83 SSTR3 (0.51) KISS1RNPC1RAB9ASMN1; SMN2TP53
SCHEMBL6800534 0.83 NPC1 (0.59) NPC1RAB9ASMN1; SMN2TP53BACE1

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