SCHEMBL7446573

SCHEMBL7446573

NC(=O)C(c1cccc(Cl)c1)N1CCC(NCC(O)C2COc3ccccc3O2)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 2/20 0.38
LTA4H P09960 5/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
ADRB3 P13945 4/20 0.35
ADRB1 P08588 2/20 0.35
MCHR1 Q99705 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
NPC1 O15118 1/20 0.33

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
SCHEMBL7435907 0.91 KDM4E (0.40) LTA4HMAPTMAPK1LMNASMN1; SMN2
SCHEMBL7439458 0.90 MAPT (0.40) LTA4HMAPTMAPK1LMNASMN1; SMN2
SCHEMBL7433758 0.90 NPC1 (0.38) LTA4HMAPTMAPK1LMNASMN1; SMN2
SCHEMBL7434217 0.90 ADRB3 (0.38) MAPTLMNAADRB3ADRB1MCHR1
SCHEMBL7442146 0.88 EPHX1 (0.41) LTA4HMAPTLMNASMN1; SMN2NPSR1
SCHEMBL7441214 0.88 GAA (0.41) LTA4HMAPTLMNASMN1; SMN2NPSR1
SCHEMBL7495730 0.87 CA2 (0.36) MAPTLMNANPSR1KDM4EALDH1A1
SCHEMBL7435691 0.87 GAA (0.41) AIMP2LTA4HMAPTMAPK1LMNA
SCHEMBL7429333 0.86 MAPT (0.37) LTA4HMAPTMAPK1LMNASMN1; SMN2
SCHEMBL7440244 0.86 ADRB2 (0.38) LTA4HMAPTMAPK1LMNASMN1; SMN2

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed