SCHEMBL6015022

SCHEMBL6015022

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 15/20 0.37
KCNH2 Q12809 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 3/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL3450298 0.90 CCR1 (0.41) CCR1KMT2ALMNA
SCHEMBL6015098 0.89 ITGB3 (0.35) CCR1
SCHEMBL6014965 0.88 CCR1 (0.39) CCR1
SCHEMBL3448413 0.88 CCR1 (0.32) CCR1KMT2A
SCHEMBL3448280 0.86 KMT2A (0.46) CCR1CYP3A4CYP2C19KMT2ALMNA
SCHEMBL6015029 0.85 CCR1 (0.40) CCR1CYP3A4KMT2A
SCHEMBL6015112 0.84 CCR1 (0.38) CCR1LMNA
SCHEMBL6014945 0.84 ENPP2 (0.38) CCR1
SCHEMBL3451234 0.84 CCR1 (0.36) CCR1
SCHEMBL3449084 0.83 CCR1 (0.54) CCR1KCNH2

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