SCHEMBL3591522

SCHEMBL3591522

NCCCc1c(-c2ccc(Cl)cc2Cl)ncn1Cc1cc(Br)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.35
DPP8 Q6V1X1 3/20 0.35
CNR1 P21554 3/20 0.34
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
BRDT Q58F21 1/20 0.32
ACP1 P24666 1/20 0.31
TGFBR1 P36897 1/20 0.31

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
SCHEMBL3088975 0.91 DPP4 (0.40) DPP4DPP8CNR1BRD4BRD2
SCHEMBL3259669 0.83 CNR1 (0.35) DPP4DPP8CNR1BRD4BRD2
SCHEMBL13316370 0.81 DPP4 (0.41) DPP4DPP8ACP1
SCHEMBL3084453 0.80 CNR1 (0.45) DPP4DPP8CNR1
SCHEMBL3087663 0.78 CNR1 (0.47) DPP4DPP8CNR1
SCHEMBL3595741 0.76 DPP4 (0.44) DPP4DPP8CNR1
SCHEMBL3604583 0.76 CNR1 (0.41) DPP4DPP8CNR1
SCHEMBL3087445 0.75 DPP4 (0.37) DPP4BRD4BRD2BRD3BRDT
SCHEMBL3089159 0.75 CNR1 (0.40) DPP4DPP8CNR1
SCHEMBL3089834 0.74 CNR1 (0.43) DPP4DPP8CNR1ACP1

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-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US claimed