SCHEMBL5769877

SCHEMBL5769877

O=C(Cc1ccccc1)N1CCC(c2nc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cs2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TP53 P04637 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CACNA1H O95180 1/20 0.45
CACNA2D1 P54289 1/20 0.45
CACNA1B Q00975 1/20 0.45
CACNB1 Q02641 1/20 0.45
CACNA1C Q13936 1/20 0.45
ALDH1A1 P00352 6/20 0.44
LMNA P02545 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PAX8 Q06710 1/20 0.44
MAOB P27338 1/20 0.44
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NR2E1 Q9Y466 1/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL2186974 0.94 CACNA2D1 (0.48) NPSR1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL2187026 0.85 NPSR1 (0.55) NPSR1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL28764306 0.85 NPSR1 (0.49) NPSR1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL2186561 0.81 NPSR1 (0.49) NPSR1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL2188126 0.80 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1LMNAPOLBHTT
SCHEMBL27698639 0.80 KMT2A (0.46) NPSR1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL2186625 0.80 MAPT (0.56) NPSR1MEN1KMT2AALDH1A1LMNA
SCHEMBL27679714 0.80 NPSR1 (0.49) NPSR1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL2192226 0.77 KMT2A (0.55) NPSR1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2186594 0.76 TNKS (0.49) NPSR1MEN1KMT2ATP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637529-A1 Novel piperidin-4-yl-thiazole-carboxamide analogues as inhibitors of T-cell proliferation and uses thereof 4SC AG (DE) 2006-03-22 EP disclosed