SCHEMBL6014945

SCHEMBL6014945

CN1C=C2C(=O)N(C3CCN(C(=O)[C@H](NC(=O)O)C4CCCCC4)CC3)CN2C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.38
CCR1 P32246 1/20 0.38
CHRM3 P20309 4/20 0.35
CTSK P43235 3/20 0.32
CTSV O60911 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
TP53 P04637 2/20 0.32
EPHX2 P34913 2/20 0.31

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
SCHEMBL6015098 0.85 ITGB3 (0.35) CCR1TP53
SCHEMBL6014965 0.85 CCR1 (0.39) CCR1CTSKTP53
SCHEMBL6015066 0.84 CHRM3 (0.37) ENPP2CCR1CHRM3CTSKCTSV
SCHEMBL3449104 0.84 CCR1 (0.42) CCR1CHRM3TP53EPHX2
SCHEMBL6015022 0.84 CCR1 (0.37) CCR1
SCHEMBL6015112 0.83 CCR1 (0.38) CCR1TP53
SCHEMBL3451234 0.82 CCR1 (0.36) CCR1
SCHEMBL3448474 0.82 CALCRL (0.37) CTSLTP53
SCHEMBL6015073 0.81 CCR1 (0.40) CCR1TP53
SCHEMBL3447895 0.81 F10 (0.39) CHRM3

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