SCHEMBL4073090

SCHEMBL4073090

CC1(N2CCC(c3ccccc3)CC2)CCN(C(C=O)Nc2ncnc3cc(Cl)c(Cl)cc23)C1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.63
CSNK1G2 P78368 1/20 0.63
EGFR P00533 6/20 0.33
PRCP P42785 4/20 0.32
CNR1 P21554 5/20 0.32
NSD2 O96028 1/20 0.31
CNR2 P34972 4/20 0.30
KRAS P01116 2/20 0.30
SOS1 Q07889 2/20 0.30
PDE3A Q14432 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
SCHEMBL4883051 0.77 CSNK1D (1.00) CSNK1DCSNK1G2EGFRPRCP
SCHEMBL4073323 0.70 CSNK1D (0.39) CSNK1DCSNK1G2
SCHEMBL14112087 0.62 CSNK1D (0.67) CSNK1DCSNK1G2
SCHEMBL27764392 0.60 CSNK1D (0.52) CSNK1DCSNK1G2
SCHEMBL14112311 0.59 CSNK1D (0.64) CSNK1DCSNK1G2CNR1CNR2
SCHEMBL3945891 0.59 LPAR2 (0.38) CNR1CNR2
SCHEMBL4882005 0.59 CSNK1D (0.62) CSNK1DCSNK1G2
SCHEMBL14208796 0.59 CSNK1D (0.55) CSNK1DCSNK1G2
SCHEMBL4881149 0.57 CSNK1D (0.55) CSNK1DCSNK1G2
SCHEMBL2160101 0.56 CCR1 (0.57)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099454-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS Abbott Laboratories (US) 2009-09-16 EP disclosed
WO-2008060621-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2008-05-22 WO disclosed