SCHEMBL3142744

SCHEMBL3142744

COc1cc2c(cc1OC)CCN(C(=O)CCNCC1Cc3ccc(OC)c(OC)c31)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
NQO2 P16083 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ABCB1 P08183 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 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 SCHEMBL4246212 0.99 DPP4 (0.45) DPP4DPP8NQO2MTNR1AMTNR1B
SCHEMBL3158495 0.87 DPP8 (0.47) DPP4DPP8MTNR1AMTNR1BMAPT
SCHEMBL3149628 0.86 DPP4 (0.45) DPP4DPP8MTNR1AMTNR1BMAPT
Hydrochloric Acid SCHEMBL4254227 0.86 DPP8 (0.46) DPP4DPP8MTNR1AMTNR1BMAPT
Hydrochloric Acid SCHEMBL4244597 0.85 DPP4 (0.44) DPP4DPP8MTNR1AMTNR1BMAPT
SCHEMBL3144330 0.84 DPP4 (0.49) DPP4DPP8NQO2MTNR1AMTNR1B
SCHEMBL3155041 0.84 DPP4 (0.49) DPP4DPP8NQO2MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL4248376 0.83 DPP4 (0.48) DPP4DPP8NQO2MTNR1AMTNR1B
SCHEMBL3163056 0.83 DPP4 (0.45) DPP4DPP8MAPTNPSR1HPGD
SCHEMBL3162664 0.83 KMT2A (0.47) DPP4DPP8MTNR1AMTNR1BNPSR1

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 3 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
WO-2009066041-A2 DERIVATIVES OF 1,2,4,5-TETRAHYDRO-3H-BENZAZEPINES, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2009-05-28 WO 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