SCHEMBL6015137

SCHEMBL6015137

CN1C=C2C(=O)N(N3CCN(C(=O)[C@@H](Cc4ccccc4)NC(=O)O)CC3)CN2C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.40
UGCG Q16739 1/20 0.40
FPR2 P25090 3/20 0.40
CHRM1 P11229 2/20 0.39

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
SCHEMBL6015099 0.92 CHRM1 (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL3450523 0.86 FPR2 (0.50) ALDH1A1CYP3A4UGCGFPR2CHRM1
SCHEMBL3448775 0.86 FPR2 (0.50) ALDH1A1CYP3A4UGCGFPR2CHRM1
SCHEMBL3451041 0.83 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6015065 0.83 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6014990 0.83 NPC1 (0.39) KMT2AMEN1ALDH1A1HSD17B10KDM4E
SCHEMBL6015041 0.80 CCR1 (0.38) KMT2AALDH1A1
SCHEMBL3448753 0.80
SCHEMBL3449382 0.80
SCHEMBL3450745 0.79 CCR1 (0.37) KMT2AMEN1

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