SCHEMBL6015041

SCHEMBL6015041

CC(C)[C@@H](NC(=O)O)C(=O)N1CCN(N2CN3CN(C)C=C3C2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.38
KMT2A Q03164 3/20 0.36
LMNA P02545 3/20 0.35
TSHR P16473 2/20 0.34
ENPP2 Q13822 1/20 0.34
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL3450745 0.91 CCR1 (0.37) CCR1KMT2ALMNA
SCHEMBL3448878 0.87
SCHEMBL6015058 0.86 CCR1 (0.33) CCR1
SCHEMBL3451349 0.83 CCR1 (0.49) CCR1KCNH2
SCHEMBL6015066 0.81 CHRM3 (0.37) CCR1ENPP2
SCHEMBL6015022 0.81 CCR1 (0.37) CCR1KMT2ALMNATSHRKCNH2
SCHEMBL3448753 0.81
SCHEMBL3449382 0.81
SCHEMBL3448463 0.81
SCHEMBL3452052 0.80

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