SCHEMBL7656975

SCHEMBL7656975

Cc1cccc(Cl)c1NCCCNC1CCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CXCR4 P61073 6/20 0.42
LCK P06239 1/20 0.41
MAPK14 Q16539 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CXCL12 P48061 1/20 0.39
OPRL1 P41146 3/20 0.39
NPY1R P25929 1/20 0.39
LMNA P02545 2/20 0.37
ALOX12 P18054 1/20 0.37
EPHX1 P07099 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7658960 0.77 GAA (0.41) LCKMAPK14
SCHEMBL7650705 0.77 GAA (0.39) MAPK14
SCHEMBL7655803 0.75 MAPK14 (0.40) GLALCKMAPK14KDM4ESMN1; SMN2
SCHEMBL7658940 0.74 GAA (0.45) HTTLCKMAPK14KDM4ELMNA
SCHEMBL7656019 0.74 GAA (0.41) HTTLCKMAPK14KDM4E
SCHEMBL7655759 0.73 ALDH1A1 (0.37) NPSR1LCKMAPK14KDM4ELMNA
SCHEMBL7654476 0.72 SMN1; SMN2 (0.45) HTTCXCR4KDM4ECXCL12OPRL1
SCHEMBL11662825 0.72 MAPK14 (0.51) HTTLCKMAPK14KDM4E
SCHEMBL16301207 0.72 SMN1; SMN2 (0.51) GLAHTTNPSR1MAPK14KDM4E
SCHEMBL7656523 0.71 PTGS2 (0.37) LCKMAPK14KDM4EALDH1A1

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-6340687-B1 ELEVATE HIGH DENSITY LIPOPROTEIN CHOLESTEROL CONCENTRATION AMERICAN HOME PRODUCTS CORPORATION 2002-01-22 US disclosed
WO-1999011630-A1 SUBSTITUTED TETRAHYDRO-PYRIMIDINE-2(1H)-THIONE HDL-C ELEVATORS USEFUL AS ANTIATHEROSCLEROTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-03-11 WO disclosed