SCHEMBL6015099

SCHEMBL6015099

CN1C=C2C(=O)N(N3CCN(C(=O)[C@@H](Cc4ccncc4)NC(=O)O)CC3)CN2C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.36
HRH2 P25021 2/20 0.36
HRH1 P35367 2/20 0.36
MMP1 P03956 2/20 0.36
MMP3 P08254 2/20 0.36
METAP1 P53582 1/20 0.35
P2RY12 Q9H244 1/20 0.34
CYP3A4 P08684 1/20 0.33
UGCG Q16739 1/20 0.33

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
SCHEMBL6015137 0.92 KMT2A (0.46) CHRM1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL3451660 0.86 CHRM2 (0.41) CHRM1ALDH1A1MMP1MMP3CYP3A4
SCHEMBL6014990 0.80 NPC1 (0.39) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL3448775 0.79 FPR2 (0.50) CHRM1ALDH1A1MMP1MMP3CYP3A4
SCHEMBL3450523 0.79 FPR2 (0.50) CHRM1ALDH1A1MMP1MMP3CYP3A4
SCHEMBL6015041 0.78 CCR1 (0.38) KMT2AALDH1A1
SCHEMBL3448753 0.78
SCHEMBL3449382 0.77
SCHEMBL3450745 0.77 CCR1 (0.37) MEN1KMT2A
SCHEMBL6015058 0.77 CCR1 (0.33)

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