SCHEMBL7652049

SCHEMBL7652049

Cc1cccc(Cl)c1N1CCCN(C2CCC2)C1=S

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.39
HTR2B P41595 3/20 0.39
CNR1 P21554 1/20 0.36
PKM P14618 1/20 0.35
POLB P06746 1/20 0.35
C5AR1 P21730 3/20 0.33
P2RX7 Q99572 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCR1 P32246 2/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7656238 0.79 P2RX7 (0.36) P2RX7SMN1; SMN2KMT2AL3MBTL1
SCHEMBL7650716 0.76 P2RX7 (0.34) P2RX7SMN1; SMN2KMT2AL3MBTL1
SCHEMBL7652765 0.74 ALDH1A1 (0.40) HTR2CHTR2BCNR1POLBSMN1; SMN2
SCHEMBL7654466 0.74 P2RX7 (0.38) P2RX7KMT2AL3MBTL1
SCHEMBL7653034 0.72 P2RX7 (0.36) P2RX7KMT2AL3MBTL1
SCHEMBL29512752 0.61 TSHR (0.39) HTR2CHTR2BP2RX7SMN1; SMN2
SCHEMBL29512766 0.60 TSHR (0.38) HTR2CHTR2BP2RX7SMN1; SMN2
SCHEMBL11480247 0.60 NOTUM (0.33) HTR2CHTR2BP2RX7KMT2AL3MBTL1
SCHEMBL11170525 0.60 GAA (0.40) P2RX7KMT2AL3MBTL1
SCHEMBL20180553 0.59 DRD2 (0.56) HTR2CKMT2A

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