SCHEMBL8711006

SCHEMBL8711006

CCCC(=O)Nc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2cccc(OC)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MTNR1B P49286 4/20 0.49
MTNR1A P48039 3/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
HSD11B1 P28845 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2C19 P33261 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP1A2 P05177 1/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GLA P06280 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2D6 P10635 1/20 0.45

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
SCHEMBL8711094 0.95 NPSR1 (0.48) NPSR1SMN1; SMN2MTNR1BMTNR1ALMNA
SCHEMBL8711076 0.94 SMN1; SMN2 (0.50) NPSR1SMN1; SMN2MTNR1BMTNR1ALMNA
Fumaric Acid SCHEMBL9231898 0.92 NPSR1 (0.45) NPSR1SMN1; SMN2MTNR1BMTNR1ALMNA
Fumaric Acid SCHEMBL9231894 0.92 NPSR1 (0.45) NPSR1SMN1; SMN2MTNR1BMTNR1ALMNA
SCHEMBL8711355 0.91 HSD11B1 (0.51) NPSR1SMN1; SMN2MTNR1BMTNR1ALMNA
SCHEMBL8710784 0.90 HSD11B1 (0.50) NPSR1SMN1; SMN2LMNAHTTHSD11B1
Hydrochloric Acid SCHEMBL8711024 0.90 HSD11B1 (0.50) NPSR1SMN1; SMN2MTNR1BMTNR1ALMNA
Fumaric Acid SCHEMBL8715794 0.90 SMN1; SMN2 (0.46) NPSR1SMN1; SMN2MTNR1BMTNR1ALMNA
Fumaric Acid SCHEMBL8715792 0.90 SMN1; SMN2 (0.46) NPSR1SMN1; SMN2MTNR1BMTNR1ALMNA
Hydrochloric Acid SCHEMBL9228383 0.89 HSD11B1 (0.49) NPSR1SMN1; SMN2LMNAHTTHSD11B1

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
US-5728835-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS TOA EIYO, LTD. (JP) 1998-03-17 US disclosed