SCHEMBL2187707

SCHEMBL2187707

CCCCN1CCN(C(=O)c2csc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 2/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 1/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CACNA1F O60840 1/20 0.38
HTR1A P08908 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
HRH2 P25021 1/20 0.38

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
SCHEMBL27698603 0.85 HTR1F (0.39) MAPK1PPARGHRH2HTR2AHRH1
SCHEMBL27698605 0.83 PPARG (0.36) CYP3A4TSHRMAPK1L3MBTL1PPARG
SCHEMBL2186625 0.82 MAPT (0.56) LMNAALOX15TSHRMAPK1L3MBTL1
SCHEMBL27679675 0.81 LMNA (0.50) LMNAALOX15TSHRMAPK1L3MBTL1
SCHEMBL2187029 0.80 L3MBTL1 (0.46) LMNAALOX15TSHRMAPK1L3MBTL1
SCHEMBL2188722 0.80 KDM4E (0.57) CYP3A4LMNAALOX15TSHRMAPK1
SCHEMBL2186974 0.80 CACNA2D1 (0.48) LMNAALOX15TSHRMAPK1ALDH1A1
SCHEMBL2187333 0.80 MAPT (0.51) LMNAALOX15TSHRL3MBTL1POLB
SCHEMBL2187555 0.79 MEN1 (0.50) CYP3A4LMNAPOLBSMN1; SMN2ME2
SCHEMBL2188442 0.78 NPC1 (0.47) LMNAALOX15TSHRMAPK1L3MBTL1

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-2343293-A1 NOVEL PIPERIDIN-4-YL-THIAZOLE-CARBOXAMIDE ANALOGUES AS INHIBITORS OF T-CELL PROLIFERATION AND USES THEREOF 4SC AG (DE) 2011-07-13 EP disclosed