SCHEMBL3808293

SCHEMBL3808293

O=C(Nc1c(I)ccc2ccccc12)NC12CC3CC(C1)CC(NC(=O)Nc1c(I)ccc4ccccc14)(C3)C2

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 17/20 0.47
MAPK1 P28482 2/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
DPP8 Q6V1X1 2/20 0.41
DPP9 Q86TI2 2/20 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
SCHEMBL3794376 0.85 EPHX2 (0.51) EPHX2MAPK1TSHRRAB9ADPP8
SCHEMBL3799290 0.80 EPHX2 (0.58) EPHX2MAPK1TSHRRAB9A
SCHEMBL3796561 0.75 EPHX2 (0.58) EPHX2RAB9A
SCHEMBL3789018 0.74 EPHX2 (0.57) EPHX2RAB9A
SCHEMBL3790735 0.72 EPHX2 (0.54) EPHX2
SCHEMBL3788548 0.72 KDM4E (0.50) EPHX2MAPK1TSHRRAB9A
SCHEMBL26240414 0.72 KDM4E (0.56) TSHR
SCHEMBL3792448 0.71 EPHX2 (0.56) EPHX2MAPK1DPP8DPP9
SCHEMBL17344416 0.70 EPHX2 (0.49) EPHX2
SCHEMBL3793395 0.69 EPHX2 (0.83) EPHX2MAPK1DPP8DPP9

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-2010112946-A1 ADAMANTANE BISUREA DERIVATIVES, METHOD OF PREPARATION AND APPLICATION IN ANION SENSING RUDJER BOSKOVIC INSTITUTE (HR) 2010-10-07 WO disclosed