SCHEMBL8714728

SCHEMBL8714728

NC(=O)Nc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2cccnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
NAMPT P43490 1/20 0.47
SLC18A3 Q16572 3/20 0.47
ALDH1A1 P00352 1/20 0.46
HTR2A P28223 2/20 0.44
HTR2C P28335 1/20 0.44
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL8713817 0.92 MEN1 (0.49) SMN1; SMN2LMNAHTTNAMPTSLC18A3
SCHEMBL8710895 0.90 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTNAMPTSLC18A3
SCHEMBL8711207 0.90 LMNA (0.49) SMN1; SMN2LMNAHTTNAMPTSLC18A3
SCHEMBL8710844 0.90 SLC18A3 (0.48) SMN1; SMN2LMNAHTTNAMPTSLC18A3
SCHEMBL8711236 0.89 SLC18A3 (0.47) SMN1; SMN2LMNAHTTNAMPTSLC18A3
SCHEMBL8710951 0.89 SLC18A3 (0.50) SLC18A3HTR2AHTR2CHTR7HTR6
SCHEMBL8711156 0.88 SLC18A3 (0.47) SMN1; SMN2LMNAHTTNAMPTSLC18A3
Fumaric Acid SCHEMBL8714585 0.88 MEN1 (0.45) SMN1; SMN2LMNAHTTNAMPTSLC18A3
SCHEMBL8711466 0.88 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTNAMPTSLC18A3
Fumaric Acid SCHEMBL8714590 0.88 MEN1 (0.45) SMN1; SMN2LMNAHTTNAMPTSLC18A3

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