SCHEMBL3149628

SCHEMBL3149628

COc1cc2c(cc1OC)CCN(C(=O)CCNCC1Cc3c1ccc(OC)c3OC)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
KMT2A Q03164 3/20 0.42
F3 P13726 2/20 0.41
CYP3A4 P08684 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
ABCB1 P08183 1/20 0.41
MAOB P27338 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
Hydrochloric Acid SCHEMBL4244597 0.99 DPP4 (0.44) DPP4DPP8KMT2AF3CYP3A4
SCHEMBL3155062 0.89 DPP4 (0.45) DPP4DPP8KMT2AHTTNPSR1
SCHEMBL3159051 0.89 DRD1 (0.46) DPP4DPP8KMT2ADRD2DRD1
Hydrochloric Acid SCHEMBL4248392 0.89 DPP4 (0.45) DPP4DPP8KMT2AHTTNPSR1
SCHEMBL3142744 0.86 DPP4 (0.46) DPP4DPP8KMT2ASIGMAR1DRD2
Hydrochloric Acid SCHEMBL4246212 0.85 DPP4 (0.45) DPP4DPP8KMT2ASIGMAR1DRD2
SCHEMBL3144330 0.85 DPP4 (0.49) DPP4DPP8KMT2ADRD3MAPT
SCHEMBL3155041 0.85 DPP4 (0.49) DPP4DPP8KMT2ADRD3MAPT
Hydrochloric Acid SCHEMBL4248376 0.84 DPP4 (0.48) DPP4DPP8KMT2ADRD3MAPT
SCHEMBL3152752 0.83 DPP4 (0.45) DPP4DPP8KMT2ADRD2DRD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2036892-B1 1,2,4,5-tetrahydro-3H-benzazepine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2010-03-10 EP disclosed
EP-2036892-A1 1,2,4,5-tetrahydro-3H-benzazepine derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2009-03-18 EP disclosed