SCHEMBL11268059

SCHEMBL11268059

CCCCCCC(=O)NCCc1ccccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.66
MTNR1A P48039 4/20 0.60
EPHX2 P34913 2/20 0.55
ALDH1A1 P00352 1/20 0.54
HSD17B10 Q99714 1/20 0.53
TRPV1 Q8NER1 1/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL14241832 0.82 HIF1A (0.57) HTTMTNR1AALDH1A1
SCHEMBL4183114 0.80 EPHX2 (0.80) EPHX2HSD17B10TRPV1MEN1MAPT
SCHEMBL30445464 0.80 EPHX2 (0.80) EPHX2HSD17B10TRPV1MEN1MAPT
SCHEMBL19043177 0.80 EPHX2 (0.80) EPHX2HSD17B10TRPV1MEN1MAPT
SCHEMBL27029534 0.80 EPHX2 (0.80) EPHX2HSD17B10TRPV1MEN1MAPT
SCHEMBL1456740 0.80 EPHX2 (0.80) EPHX2HSD17B10TRPV1MEN1MAPT
SCHEMBL3810079 0.80 MTNR1A (0.69) MTNR1ATRPV1MEN1KMT2A
SCHEMBL27680999 0.79 HIF1A (0.60) ALDH1A1TRPV1
SCHEMBL7426779 0.78 EPHX2 (0.78) EPHX2HSD17B10TRPV1
SCHEMBL225174 0.77 EPHX2 (0.73) HTTEPHX2TRPV1MEN1KMT2A

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-4337256-A ANTIINFLAMMATORY AGENTS; ANTIAGGLOMERANTS; ENZYME INHIBITORS; ANTIULCER AGENTS TEIKOKU HORMONE MANUFACTURING CO., LTD. (JP) 1982-06-29 US disclosed
EP-0013411-A1 Isoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them TEIKOKU HORMONE MFG. CO., LTD. (JP) 1980-07-23 EP disclosed