SCHEMBL6015148

SCHEMBL6015148

CSCC[C@@H](NC(=O)O)C(=O)N1CCC(N2CN3CN(C)C=C3C2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 1/20 0.41
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RCE1 Q9Y256 1/20 0.39
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
PPID Q08752 1/20 0.37
CCR1 P32246 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL6015073 0.90 CCR1 (0.40) UBE2NCCR1
SCHEMBL6015003 0.88 CCKBR (0.40) CCR1
SCHEMBL6015112 0.88 CCR1 (0.38) KDM4ECCR1
SCHEMBL3450145 0.87 CALCRL (0.32) KMT2ATSHRCCR1
SCHEMBL3449985 0.86 CCKBR (0.32) CCR1
SCHEMBL6015029 0.86 CCR1 (0.40) KMT2AALDH1A1KDM4EMEN1HSD17B10
SCHEMBL3448501 0.85 CCR1 (0.40) UBE2NKMT2AALDH1A1KDM4EMEN1
SCHEMBL3449253 0.85 CCKBR (0.31) CCR1
SCHEMBL3449306 0.84 TSHR (0.31) KMT2ATSHRCCR1
SCHEMBL3451041 0.83 ALDH1A1 (0.43) KMT2AALDH1A1KDM4EMEN1GAA

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-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP disclosed