SCHEMBL7653034

SCHEMBL7653034

C=CCN1CCCN(c2c(C)cccc2Cl)C1=S

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
MAPK10 P53779 6/20 0.34
MAPK8 P45983 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7653392 0.84 P2RX7 (0.39) P2RX7MEN1KMT2ALMNAL3MBTL1
SCHEMBL7654466 0.82 P2RX7 (0.38) P2RX7MEN1KMT2AL3MBTL1
SCHEMBL7656238 0.77 P2RX7 (0.36) P2RX7ADRA2AADRA2BADRA2CMEN1
SCHEMBL7650716 0.76 P2RX7 (0.34) P2RX7MEN1KMT2AL3MBTL1
SCHEMBL7653896 0.75 LMNA (0.35) P2RX7MEN1KMT2ALMNAMAPT
SCHEMBL7653880 0.75 MEN1 (0.39) MEN1KMT2ALMNAMAPT
SCHEMBL7652049 0.72 HTR2C (0.39) P2RX7KMT2AL3MBTL1
SCHEMBL8526296 0.69 MEN1 (0.51) ADRA2AMAPK10MAPK8MEN1KMT2A
SCHEMBL8475138 0.66 KMT2A (0.64) MEN1KMT2ALMNAMAPT
SCHEMBL7648117 0.62 CYP3A4 (0.35) MAPTL3MBTL1

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 4 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 claimed
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 claimed
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