SCHEMBL3663463

SCHEMBL3663463

CC(N)C(N)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.56
TAAR1 Q96RJ0 3/20 0.56
MAOA P21397 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
CYP2A6 P11509 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
CYP2D6 P10635 2/20 0.47
TRPA1 O75762 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
EPHX1 P07099 1/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL18426836 1.00 SLC6A2 (0.56) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL10344724 0.82 SLC6A2 (0.54) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL23458356 0.79 IDO1 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6SMN1; SMN2
SCHEMBL22459077 0.79 SLC6A2 (0.52) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL31118229 0.78 TRPA1 (0.60) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL4790315 0.78 SLC6A2 (0.50) SLC6A2TAAR1MAOASLC6A4SLC6A3
Iodide SCHEMBL5092961 0.78 TAAR1 (0.50) SLC6A2TAAR1MAOASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5085050 0.78 TAAR1 (0.50) SLC6A2TAAR1MAOASLC6A4SLC6A3
Bromide SCHEMBL5091831 0.78 TAAR1 (0.50) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL28819443 0.77 TAAR1 (0.48) SLC6A2TAAR1MAOASLC6A4SLC6A3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849225-A Amine for the composition epoxy resin of low emission SIKA技术股份公司 2018-03-27 CN disclosed
EP-2160098-A2 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS Commissariat a L'Energie Atomique (FR) 2010-03-10 EP disclosed
WO-2008146174-A2 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-12-04 WO disclosed
US-3968298-A Process for imparting to natural keratin-containing material a permanent finish rendering the material resistant to damage by insects CIBA-GEIGY CORPORATION (US) 1976-07-06 US disclosed