SCHEMBL7860587

SCHEMBL7860587

C=C(NCCc1c[nH]c2ccc(Cl)cc12)C1CCN(C2CC2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP14 P50281 1/20 0.51
TSHR P16473 1/20 0.50
SNCA P37840 12/20 0.47
GFER P55789 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 1/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL892815 0.90 MTNR1A (0.56) MTNR1AMTNR1BLMNASMN1; SMN2MMP9
SCHEMBL7850083 0.86 MTNR1A (0.52) MTNR1AMTNR1BLMNASMN1; SMN2MMP9
SCHEMBL892708 0.85 MTNR1A (0.53) MTNR1AMTNR1BLMNASMN1; SMN2MMP9
SCHEMBL7856519 0.83 SNCA (0.50) MTNR1AMTNR1BLMNASMN1; SMN2MMP9
SCHEMBL7860117 0.83 LMNA (0.50) MTNR1AMTNR1BLMNASMN1; SMN2MMP9
SCHEMBL7857392 0.80 MTNR1A (0.48) MTNR1AMTNR1BLMNASMN1; SMN2MMP9
SCHEMBL7859054 0.80 MTNR1A (0.46) MTNR1AMTNR1BLMNASMN1; SMN2MMP9
SCHEMBL7856590 0.80 SNCA (0.55) MTNR1AMTNR1BSNCAABCG2
SCHEMBL7856585 0.80 TRPV1 (0.60) MTNR1AMTNR1BLMNASMN1; SMN2MMP9
SCHEMBL892580 0.76 MTNR1A (0.55) MTNR1AMTNR1BLMNASMN1; SMN2MMP9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010142801-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2010-12-16 WO disclosed