SCHEMBL5774731

SCHEMBL5774731

O=CCCC[C@@H](C1CCSC1)N1CCC(c2nc(C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)cs2)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 17/20 0.41
KDM4E B2RXH2 1/20 0.40
BRD4 O60885 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
CREBBP Q92793 1/20 0.40
SPR P35270 2/20 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
SCHEMBL5774732 0.77 KDM4E (0.43) CCR2KDM4EBRD4ALDH1A1POLB
SCHEMBL2186733 0.75 KDM4E (0.48) CCR2KDM4EBRD4ALDH1A1POLB
SCHEMBL2188126 0.74 ALDH1A1 (0.50) CCR2KDM4EBRD4ALDH1A1POLB
SCHEMBL2188470 0.73 KDM4E (0.51) CCR2KDM4EBRD4ALDH1A1POLB
SCHEMBL27698609 0.73 KMT2A (0.45) CCR2KDM4EBRD4ALDH1A1POLB
SCHEMBL2213735 0.72 KDM4E (0.52) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL2186025 0.71 KDM4E (0.46) CCR2KDM4EBRD4ALDH1A1POLB
SCHEMBL27698607 0.71 KMT2A (0.46) CCR2KDM4EBRD4ALDH1A1POLB
SCHEMBL2187329 0.69 SLC6A4 (0.45) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL2185602 0.67 KDM4E (0.45) CCR2KDM4EBRD4ALDH1A1POLB

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