SCHEMBL8974437

SCHEMBL8974437

FC(F)(F)Oc1cccc(C2OC2c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.41
SLC22A12 Q96S37 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
EPHX2 P34913 1/20 0.39
NOTUM Q6P988 1/20 0.39
PLAU P00749 1/20 0.39
DRD4 P21917 1/20 0.38
GPR3 P46089 1/20 0.38
CETP P11597 2/20 0.38
KAT6A Q92794 1/20 0.38
KDM1A O60341 1/20 0.38
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37
GRM5 P41594 1/20 0.37
MAPK14 Q16539 1/20 0.37
ADCYAP1R1 P41586 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
SCHEMBL4077149 0.78 SLC5A2 (0.46) CETP
SCHEMBL8768492 0.76 TSHR (0.44) KIF11NOTUMDRD4CETPABCC9
SCHEMBL3147185 0.74 GPR3 (0.50) KIF11SLC22A12EPHX2GPR3CETP
Ethyne SCHEMBL28472442 0.72 KIF11 (0.44) KIF11EPHX2GPR3KDM1A
SCHEMBL25046792 0.72 HTR2C (0.45) NOTUMDRD4
SCHEMBL13092310 0.72 TACR1 (0.39) KIF11EPHX2NOTUMDRD4CETP
SCHEMBL20282990 0.72 KCNH2 (0.48) NOTUMDRD4KDM1A
SCHEMBL27862141 0.72 KIF11 (0.47) KIF11EPHX2GPR3KDM1A
SCHEMBL168125 0.72 KIF11 (0.47) KIF11EPHX2GPR3KDM1A
SCHEMBL5670014 0.72 CETP (0.54) KIF11CETPMAPK14

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
US-5482971-A Beta3 -adrenergic agents and their use in pharmaceutical compositions AMERICAN CYANAMID COMPANY (US) 1996-01-09 US disclosed