SCHEMBL22769062

SCHEMBL22769062

C=C(N)[C@@H](N)CCCCNC

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.35
EPHX1 P07099 1/20 0.34
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
KISS1R Q969F8 1/20 0.32
NOS2 P35228 4/20 0.31
NOS1 P29475 3/20 0.31
NOS3 P29474 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
PAOX Q6QHF9 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
CPB2 Q96IY4 1/20 0.30
DDAH1 O94760 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL22365105 0.83 DPP7 (0.35) DPP7EPHX1GNAI3GNAO1GNAI1
SCHEMBL22769065 0.79 DPP7 (0.43) DPP7EPHX1GNAI3GNAO1GNAI1
SCHEMBL13456304 0.79 DPP7 (0.43) DPP7EPHX1GNAI3GNAO1GNAI1
SCHEMBL20653680 0.79 DPP7 (0.43) DPP7EPHX1GNAI3GNAO1GNAI1
SCHEMBL24481893 0.78 EPHX1 (0.33) EPHX1KISS1R
SCHEMBL19504757 0.77 KISS1R (0.40) DPP7EPHX1KISS1RHTR2AHRH1
SCHEMBL432790 0.75 GSR (0.57) NOS2NOS1NOS3CYP1A2CYP3A4
SCHEMBL1104625 0.75 KISS1R (0.47) DPP7EPHX1GNAI3GNAO1GNAI1
SCHEMBL12825453 0.75 KISS1R (0.47) DPP7EPHX1GNAI3GNAO1GNAI1
SCHEMBL14947748 0.75 KISS1R (0.47) DPP7EPHX1GNAI3GNAO1GNAI1

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
WO-2020247297-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2020-12-10 WO disclosed