SCHEMBL7654647

SCHEMBL7654647

Cc1cc(Cl)ccc1NCCCNCC(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
NOX1 Q9Y5S8 1/20 0.39
MAPT P10636 4/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 2/20 0.37
ALPL P05186 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
OPRL1 P41146 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CCR1 P32246 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL7651384 0.88 GAA (0.41) MAPTLMNAMEN1KMT2AGAA
SCHEMBL7650131 0.83 SMN1; SMN2 (0.46) SMN1; SMN2NOX1MAPTMEN1KMT2A
SCHEMBL19639918 0.82 NOX1 (0.46) SMN1; SMN2NOX1MAPTLMNAMEN1
SCHEMBL7657018 0.82 NSD2 (0.44) SMN1; SMN2NOX1MAPTLMNAMEN1
SCHEMBL7653377 0.78 KDM4E (0.43) SMN1; SMN2NOX1MAPTLMNAMEN1
SCHEMBL7655830 0.76 SMN1; SMN2 (0.44) SMN1; SMN2NOX1MAPTLMNAMEN1
SCHEMBL7655772 0.76 SMN1; SMN2 (0.48) SMN1; SMN2NOX1MAPTLMNAMEN1
SCHEMBL7655919 0.76 FERMT2 (0.52) SMN1; SMN2NOX1MAPTGAAHTT
Bromide SCHEMBL7657001 0.75 SMN1; SMN2 (0.43) SMN1; SMN2NOX1MAPTLMNAMEN1
SCHEMBL30817041 0.75 CCR1 (0.71) LMNAHTTKDM4ECCR1

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