SCHEMBL5207845

SCHEMBL5207845

FC(F)(F)c1cccc(-c2c[nH]c(C3CCCCC3)n2)c1.O=C(O)NCC(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.41
KCNH2 Q12809 2/20 0.40
ADCY8 P40145 1/20 0.40
ADCY1 Q08828 1/20 0.40
CCR2 P41597 3/20 0.39
ALDH1A1 P00352 2/20 0.39
VCP P55072 1/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
KMO O15229 1/20 0.37
KCNJ6 P48051 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37

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
SCHEMBL5206605 0.88 KCNH2 (0.51) KCNH2CCR2VCPKMT2A
SCHEMBL5206782 0.84 FAAH (0.47) ADORA1KCNH2ALDH1A1VCPITGB3
SCHEMBL5207759 0.81 ADORA1 (0.43) ADORA1KCNH2ALDH1A1VCPITGB3
SCHEMBL5210647 0.79 TRPV3 (0.46) ADORA1KCNH2ALDH1A1CNR2MEN1
SCHEMBL5205435 0.77 KMO (0.41) ADORA1ALDH1A1VCPITGB3ITGA2B
SCHEMBL5207674 0.77 PDE2A (0.39) ADORA1ALDH1A1VCPKMO
SCHEMBL14608992 0.77 KCNH2 (0.47) KCNH2ALDH1A1VCPMEN1POLB
SCHEMBL5206565 0.77 KCNH2 (0.47) KCNH2ALDH1A1VCPMEN1POLB
SCHEMBL5205158 0.77 KCNH2 (0.47) KCNH2ALDH1A1VCPMEN1POLB
SCHEMBL5208528 0.76 POLB (0.41) ADORA1KCNH2ALDH1A1ITGB3ITGA2B

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-1306085-B1 2-Cyclohexyl-4-phenyl-1H-imidazole derivatives as ligands for the neuropeptide Y5 receptor NEUROGEN CORP (US) 2007-02-14 EP claimed