SCHEMBL6691901

SCHEMBL6691901

Nc1ccc(Cl)c(C(=O)N2CCCN(CC3CC3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.47
KCNH2 Q12809 4/20 0.47
KDM2B Q8NHM5 1/20 0.45
PARP1 P09874 2/20 0.44
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.42
HSD11B1 P28845 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
RORC P51449 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6691898 0.86 CCR2 (0.46) CCR2KCNH2KDM2BPARP1LMNA
SCHEMBL30309577 0.85 PIK3CA (0.49) CCR2KCNH2LMNATP53TSHR
SCHEMBL22163997 0.85 PIK3CA (0.49) CCR2KCNH2LMNATP53TSHR
SCHEMBL21230031 0.83 ACHE (0.48) CCR2KCNH2PIK3CAMTOR
SCHEMBL22767193 0.81 HPGD (0.55) LMNATP53ALOX15TSHRMAPT
SCHEMBL6692578 0.81 LMNA (0.47) PARP1LMNATP53ALOX15TSHR
SCHEMBL22767344 0.79 HPGD (0.58) LMNATP53ALOX15TSHRHSD11B1
SCHEMBL15688131 0.79 ALDH1A1 (0.56) LMNATP53ALOX15TSHRMAPT
SCHEMBL20750391 0.78 PIK3CA (0.44) TSHRMAPTPIK3CAMTOR
SCHEMBL6695963 0.74 CHRM2 (0.47) KDM2BPARP1LMNATP53TSHR

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
WO-2004074438-A2 CCR8 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO claimed