SCHEMBL6015066

SCHEMBL6015066

CN1C=C2C(=O)N(N3CCN(C(=O)[C@H](NC(=O)O)C4CCCCC4)CC3)CN2C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.37
ENPP2 Q13822 6/20 0.36
CCR1 P32246 1/20 0.36
TP53 P04637 1/20 0.34
CTSK P43235 3/20 0.32
CTSV O60911 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
EPHX2 P34913 2/20 0.31
P2RX7 Q99572 1/20 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
SCHEMBL3448985 0.86 AAK1 (0.36) CHRM3ENPP2TP53CTSL
SCHEMBL6014945 0.84 ENPP2 (0.38) CHRM3ENPP2CCR1TP53CTSK
SCHEMBL3449607 0.84 RAB9A (0.41) CHRM3CCR1TP53EPHX2
SCHEMBL3449091 0.83 FPR2 (0.41) CHRM3CCR1EPHX2
SCHEMBL3448661 0.82 AAK1 (0.36) CTSL
SCHEMBL6015041 0.81 CCR1 (0.38) ENPP2CCR1
SCHEMBL6015058 0.81 CCR1 (0.33) CCR1
SCHEMBL3448700 0.79 ENPP2 (0.33) ENPP2
SCHEMBL3450745 0.79 CCR1 (0.37) CCR1CTSK
SCHEMBL3451876 0.79 CCR1 (0.39) CHRM3CCR1EPHX2

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