SCHEMBL3987626

SCHEMBL3987626

CNC(=O)C1CCCN1C(=S)NCc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TACR1 P25103 3/20 0.51
HRH3 Q9Y5N1 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
CYP2C19 P33261 1/20 0.49
EP300 Q09472 1/20 0.48
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
MMP13 P45452 1/20 0.47
ADAM17 P78536 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.46
F2 P00734 1/20 0.46

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
SCHEMBL26098590 0.79 RAB9A (0.51) POLBMEN1KMT2APKMNPC1
SCHEMBL26103078 0.78 HPGD (0.52) POLBMEN1KMT2AMMP1MMP3
SCHEMBL15126028 0.77 POLB (0.61) POLBMEN1KMT2AHRH3CYP3A4
SCHEMBL26787011 0.76 POLB (0.57) POLBMEN1KMT2ACYP3A4CYP2C9
SCHEMBL9275466 0.75 POLB (0.62) POLBMEN1KMT2AHRH3CYP3A4
SCHEMBL9275456 0.75 POLB (0.62) POLBMEN1KMT2AHRH3CYP3A4
SCHEMBL21696570 0.75 MEN1 (0.57) POLBMEN1KMT2AHRH3CYP3A4
SCHEMBL5741395 0.75 HTT (0.62) POLBKMT2ATACR1HRH3CYP3A4
SCHEMBL5741398 0.75 HTT (0.62) POLBKMT2ATACR1HRH3CYP3A4
SCHEMBL13374829 0.75 ALDH1A1 (0.74) POLBMEN1KMT2ACYP3A4CYP2C9

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
EP-2059502-A2 PROLINE UREA CCR1 ANTAGONISTS FOR THE TREATMENT OF AUTOIMMUNE DISEASES OR INFLAMMATION LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-05-20 EP disclosed
WO-2008011392-A2 PROLINE UREA CCR1 ANTAGONISTS FOR THE TREATMENT OF AUTOIMMUNE DISEASES OR INFLAMMATION LIGAND PHARMACUETICALS INCORPORATED (US) 2008-01-24 WO disclosed