SCHEMBL7653481

SCHEMBL7653481

Cc1cc(Cl)ccc1N1CCCNC1=S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
AKR1C3 P42330 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 3/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
HTR2C P28335 2/20 0.34
MAPK14 Q16539 1/20 0.34
GFER P55789 1/20 0.34
HTR2B P41595 1/20 0.34
THRB P10828 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
NR4A1 P22736 1/20 0.33
PTK2B Q14289 1/20 0.33
AVPR1A P37288 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
SCHEMBL7652026 0.75 AKR1C3 (0.40) ALDH1A1AKR1C3KDM4ELMNAHTT
SCHEMBL7648847 0.71 LMNA (0.38) ALDH1A1AKR1C3KDM4ELMNAHTT
SCHEMBL7652778 0.71 LMNA (0.40) ALDH1A1AKR1C3KDM4ELMNAHTT
SCHEMBL7653896 0.70 LMNA (0.35) ALDH1A1AKR1C3KDM4ELMNAHTT
SCHEMBL7651466 0.70 LMNA (0.38) ALDH1A1AKR1C3KDM4ELMNAHTT
SCHEMBL651717 0.68 HTR3A (0.61) AKR1C3HTTHTR2CHTR2BTHRB
SCHEMBL8306531 0.68 ALDH1A1 (0.51) ALDH1A1KDM4EHTTKMT2ATHRB
SCHEMBL16287294 0.68 LTA4H (0.51) ALDH1A1LMNASCN9A
SCHEMBL28189346 0.67 ALDH1A1 (0.61) ALDH1A1AKR1C3KDM4ELMNAHTT
Hydrochloric Acid SCHEMBL30609685 0.67 HTR3A (0.59) AKR1C3HTTHTR2CHTR2BTHRB

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