SCHEMBL14921663

SCHEMBL14921663

CNC1CC1c1ccccc1C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.57
HTR2C P28335 3/20 0.49
HTR2A P28223 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A2 P23975 8/20 0.42
SLC6A4 P31645 7/20 0.42
SLC6A3 Q01959 7/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PDPK1 O15530 1/20 0.40
CYP2D6 P10635 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL14885500 0.78 KDM1A (0.55) KDM1AHTR2CHTR2BSLC6A2SLC6A3
SCHEMBL25058901 0.78 HTR2C (0.59) KDM1AHTR2CHTR2AHTR2BSLC6A2
Hydrochloric Acid SCHEMBL4138349 0.77 KDM1A (0.54) KDM1AHTR2CHTR2BMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL4139365 0.77 KDM1A (0.56) KDM1AHTR2CHTR2AHTR2BSLC6A2
SCHEMBL29357722 0.73 KDM1A (1.00) KDM1AMAOB
SCHEMBL14880273 0.73 KDM1A (1.00) KDM1AMAOB
SCHEMBL14880558 0.73 KDM1A (1.00) KDM1AMAOB
SCHEMBL16019216 0.73 KDM1A (1.00) KDM1AMAOB
SCHEMBL14882080 0.73 KDM1A (1.00) KDM1AHTR2CHTR2ASLC6A2SLC6A4
SCHEMBL14880544 0.73 KDM1A (1.00) KDM1AHTR2CHTR2ASLC6A2SLC6A4

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-2773616-A1 PESTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2014-09-10 EP disclosed
WO-2013064520-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-05-10 WO disclosed