SCHEMBL3149736

SCHEMBL3149736

COc1ccc2c(c1)CCN(C(=O)CCNC[C@H]1Cc3cc(OC)c(OC)cc31)CC2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
KMT2A Q03164 3/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.44
MTNR1B P49286 3/20 0.43
MTNR1A P48039 2/20 0.43
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43

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 SCHEMBL4250876 0.99 DPP4 (0.45) DPP4DPP8KMT2ACYP3A4CYP2D6
SCHEMBL3155041 0.92 DPP4 (0.49) DPP4DPP8KMT2AHTTL3MBTL1
SCHEMBL3144330 0.92 DPP4 (0.49) DPP4DPP8KMT2AHTTL3MBTL1
Hydrochloric Acid SCHEMBL4248376 0.91 DPP4 (0.48) DPP4DPP8KMT2AHTTL3MBTL1
SCHEMBL3149531 0.87 DPP4 (0.46) DPP4DPP8KMT2AHTTTP53
SCHEMBL3157230 0.87 DPP4 (0.45) DPP4DPP8KMT2AMTNR1BMTNR1A
SCHEMBL3145228 0.87 KMT2A (0.55) DPP4DPP8KMT2AGAAHTT
SCHEMBL3162393 0.87 ABCB1 (0.46) DPP4DPP8KMT2AABCB1ABCC1
Hydrochloric Acid SCHEMBL4251956 0.87 DPP4 (0.45) DPP4DPP8KMT2AHTTL3MBTL1
SCHEMBL3163056 0.87 DPP4 (0.45) DPP4DPP8KMT2AHTTL3MBTL1

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