SCHEMBL6015078

SCHEMBL6015078

CN1C=C2C(=O)N(CCC3CCN(C(=O)[C@H](NC(=O)O)C(C)(C)C)CC3)CN2C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 1/20 0.32
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32
FAAH O00519 1/20 0.32
CTSK P43235 2/20 0.31
ITGB3 P05106 2/20 0.30
ITGA2B P08514 2/20 0.30
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL3448613 0.92 CCR1 (0.37) CCR1CNR2CTSKITGB3ITGA2B
SCHEMBL3449036 0.91 KDM4E (0.33) KDM4EALDH1A1GAATSHRSMN1; SMN2
SCHEMBL3448493 0.85 CCR1 (0.41) CCR1KDM4EALDH1A1GAATSHR
SCHEMBL6014965 0.85 CCR1 (0.39) CCR1CNR2CTSK
SCHEMBL3448992 0.83
SCHEMBL6015020 0.81 CCR1 (0.36) CCR1CTSK
SCHEMBL3451234 0.80 CCR1 (0.36) CCR1
SCHEMBL3449185 0.79 CCR1 (0.34) CCR1CNR2
SCHEMBL3448425 0.79 CCR1 (0.41) CCR1ALDH1A1
SCHEMBL6015058 0.79 CCR1 (0.33) CCR1

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