SCHEMBL7841704

SCHEMBL7841704

CC(C)(C)OC(=O)NCCc1cc2ccc(Br)cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.51
MTNR1B P49286 3/20 0.51
BCHE P06276 1/20 0.46
NQO2 P16083 1/20 0.46
AAK1 Q2M2I8 2/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GFER P55789 1/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38

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
SCHEMBL17141297 0.86 MTNR1A (0.51) MTNR1AMTNR1BBCHENQO2KDM4E
SCHEMBL26837472 0.85 MTNR1A (0.72) MTNR1AMTNR1BBCHENQO2KDM4E
SCHEMBL29736233 0.85 MTNR1A (0.72) MTNR1AMTNR1BBCHENQO2KDM4E
SCHEMBL20287498 0.82 ALOX15 (0.49) BCHE
SCHEMBL17140836 0.82 MTNR1A (0.47) MTNR1AMTNR1BBCHENQO2ALDH1A1
SCHEMBL20289680 0.81 ALOX15 (0.51) KDM4EALDH1A1HSD17B10
SCHEMBL19964551 0.78 SMN1; SMN2 (0.55) MTNR1AMTNR1BBCHEAAK1SMN1; SMN2
SCHEMBL23037699 0.78 BCHE (0.41) MTNR1AMTNR1BBCHENQO2AAK1
SCHEMBL31359957 0.77 BCHE (0.42) MTNR1AMTNR1BBCHENQO2KDM4E
SCHEMBL23037651 0.76 NQO2 (0.40) MTNR1AMTNR1BBCHENQO2AAK1

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-1109784-A1 INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2001-06-27 EP disclosed
WO-2000012475-A1 INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2000-03-09 WO disclosed