SCHEMBL6563136

SCHEMBL6563136

Cn1cccc1CCNC(=NCc1ccc(C(C)(C)C)cc1)NC#N

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.41
RAB9A P51151 3/20 0.39
MAPT P10636 1/20 0.39
ESRRG P62508 2/20 0.36
NPC1 O15118 2/20 0.36
NAMPT P43490 6/20 0.36
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL4890987 0.80 EPHX2 (0.40) RAB9AMAPTESRRGNPC1
SCHEMBL4889952 0.71 TRPV1 (0.49)
SCHEMBL6562709 0.68 TRPV1 (0.60)
SCHEMBL4886449 0.67 ALDH1A1 (0.44) MAPTNAMPT
SCHEMBL4880046 0.65 LMNA (0.53) MAPT
SCHEMBL10402495 0.64 ALDH1A1 (0.41) RAB9AMAPTNPC1
SCHEMBL10402494 0.64 ALDH1A1 (0.41) RAB9AMAPTNPC1
SCHEMBL12049778 0.62 EPHX2 (0.40) RAB9AESRRGNPC1
SCHEMBL9428588 0.62 EPHX2 (0.54) RAB9ANPC1
SCHEMBL4391756 0.61 RAB9A (0.49) RAB9AMAPTNPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303483-A4 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2004-11-03 EP disclosed
EP-1303483-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2003-04-23 EP disclosed
WO-2002016318-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2002-02-28 WO disclosed