SCHEMBL3605962

SCHEMBL3605962

COc1ccc(Cn2cnc(-c3ccc(Cl)cc3Cl)c2CN)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.41
TTR P02766 1/20 0.41
YTHDC1 Q96MU7 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
DPP8 Q6V1X1 2/20 0.40
QPCT Q16769 2/20 0.39
QPCTL Q9NXS2 2/20 0.39
BCL2L2 Q92843 1/20 0.39
CSF1R P07333 2/20 0.38
ROCK2 O75116 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL3595932 0.88 DPP4 (0.49) DPP4DPP8QPCTMEN1KMT2A
SCHEMBL3091375 0.86 DPP4 (0.47) DPP4DPP8
SCHEMBL3102277 0.84 DPP4 (0.44) DPP4DPP8
SCHEMBL3091436 0.84 DPP4 (0.46) DPP4DPP8MEN1KMT2A
SCHEMBL3091438 0.84 CXCR2 (0.51) DPP4YTHDC1DPP8BCL2L2
SCHEMBL3596602 0.84 TTR (0.40) DPP4TTRYTHDC1S1PR1S1PR5
SCHEMBL3089977 0.83 BCL2L2 (0.50) DPP4YTHDC1DPP8BCL2L2
SCHEMBL3089796 0.82 DPP4 (0.44) DPP4DPP8QPCTQPCTL
SCHEMBL3595741 0.82 DPP4 (0.44) DPP4DPP8
SCHEMBL3096840 0.82 DPP4 (0.46) DPP4DPP8

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