SCHEMBL7649121

SCHEMBL7649121

Cc1ccc(Cl)cc1N1CCCN(C)C1=S

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MCOLN3 Q8TDD5 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
USP2 O75604 1/20 0.39
TP53 P04637 3/20 0.38
LMNA P02545 4/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
AVPR1A P37288 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA1B P35368 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL7652026 0.88 AKR1C3 (0.40) ALDH1A1MEN1KMT2ANPSR1LMNA
SCHEMBL7650742 0.81 MEN1 (0.42) ALDH1A1MEN1KMT2AMCOLN3NPSR1
SCHEMBL7655761 0.81 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMCOLN3NPSR1
SCHEMBL7652054 0.79 MEN1 (0.40) ALDH1A1MEN1KMT2AMCOLN3NPSR1
SCHEMBL7652765 0.79 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMCOLN3NPSR1
SCHEMBL8119583 0.79 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMCOLN3NPSR1
SCHEMBL7653880 0.77 MEN1 (0.39) ALDH1A1MEN1KMT2AMCOLN3NPSR1
SCHEMBL8126427 0.75 CYP3A4 (0.47) ALDH1A1MEN1KMT2ANPSR1USP2
SCHEMBL7951448 0.74 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AMCOLN3NPSR1
SCHEMBL8124267 0.74 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AMCOLN3NPSR1

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