SCHEMBL15715697

SCHEMBL15715697

C(=C/CNC1CC1)\CNC1CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ADH1B P00325 1/20 0.32
ADH1A P07327 1/20 0.32
DRD3 P35462 1/20 0.30
HRH3 Q9Y5N1 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
Hydrochloric Acid SCHEMBL15670963 0.97 DPP7 (0.38) DPP7HTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL15670961 0.97 DPP7 (0.38) DPP7HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL15715627 0.87
SCHEMBL6395380 0.83
SCHEMBL12692856 0.83
SCHEMBL21869741 0.83
SCHEMBL29427825 0.79
SCHEMBL21869416 0.78
SCHEMBL20893422 0.75 HTR2A (0.38) DPP7HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL15739458 0.75 POLB (0.47) HTR2AHTR2CHTR2BSIGMAR1MEN1

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-2914234-B1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2020-04-01 EP disclosed
WO-2014067666-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2014-05-08 WO disclosed