SCHEMBL11255199

SCHEMBL11255199

C[C@@H](Nc1nc2cc3cc(Cl)ccc3cc2o1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.46
S1PR3 Q99500 10/20 0.45
KCNH2 Q12809 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
S1PR4 O95977 2/20 0.42
S1PR1 P21453 3/20 0.41
FBP1 P09467 3/20 0.41
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
MAOA P21397 1/20 0.40
ADRA1A P35348 1/20 0.40
ANO1 Q5XXA6 1/20 0.39

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
SCHEMBL11099439 0.87 FFAR2 (0.58) FFAR2S1PR3KCNH2MEN1GAA
SCHEMBL11254785 0.86 ELANE (0.40) S1PR3GAAKMT2AS1PR1MAPT
SCHEMBL11269418 0.86 ALDH1A1 (0.46) S1PR3GAAS1PR4RAB9A
SCHEMBL11102900 0.82 HDAC8 (0.45) FFAR2S1PR3KCNH2MEN1GAA
SCHEMBL11098158 0.78 SMN1; SMN2 (0.45) FFAR2GAAKMT2AMAPTRAB9A
SCHEMBL11100838 0.76 RAB9A (0.51) S1PR3GAAKMT2AS1PR1FBP1
SCHEMBL11099522 0.73 NPC1 (0.54) GAAMAPTRAB9A
SCHEMBL16972933 0.73 NPC1 (0.54) GAAMAPTRAB9A
SCHEMBL16972931 0.73 NPC1 (0.54) GAAMAPTRAB9A
SCHEMBL11100985 0.73 KMO (0.42) MEN1KMT2AMAPT

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
US-4318905-A Nonapeptide and decapeptide agonists of luteinizing hormone releasing hormone containing heterocyclic amino acid residues SYNTEX (U.S.A.) INC. (US) 1982-03-09 US disclosed
EP-0042753-A1 Nonapeptide and decapeptide agonists of luteinizing hormone releasing hormone containing heterocyclic amino acid residues, methods for their preparation, pharmaceutical compounds containing them, and their pharmaceutical use SYNTEX (U.S.A.) INC. (US) 1981-12-30 EP disclosed