SCHEMBL10344724

SCHEMBL10344724

NC(N)C(N)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.54
TAAR1 Q96RJ0 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
EPHX1 P07099 1/20 0.46
MAOA P21397 2/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CYP2A6 P11509 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP2D6 P10635 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
ANPEP P15144 1/20 0.40
LMNA P02545 1/20 0.40
TRPA1 O75762 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
SCHEMBL4790315 0.82 SLC6A2 (0.50) SLC6A2TAAR1SMN1; SMN2HIF1AEPHX1
SCHEMBL3663463 0.82 SLC6A2 (0.56) SLC6A2TAAR1SMN1; SMN2HIF1AEPHX1
SCHEMBL18426836 0.82 SLC6A2 (0.56) SLC6A2TAAR1SMN1; SMN2HIF1AEPHX1
SCHEMBL28819443 0.80 TAAR1 (0.48) SLC6A2TAAR1SMN1; SMN2HIF1AEPHX1
Hydrochloric Acid SCHEMBL29101372 0.77 SMN1; SMN2 (0.50) SLC6A2TAAR1SMN1; SMN2HIF1AEPHX1
SCHEMBL10503241 0.76 TAAR1 (0.67) SLC6A2TAAR1SMN1; SMN2HIF1AEPHX1
SCHEMBL22459077 0.74 SLC6A2 (0.52) SLC6A2TAAR1SMN1; SMN2HIF1AMAOA
SCHEMBL352842 0.74 TAAR1 (0.64) SLC6A2TAAR1SMN1; SMN2HIF1AEPHX1
SCHEMBL4081566 0.74 TAAR1 (0.64) SLC6A2TAAR1SMN1; SMN2HIF1AMAOA
SCHEMBL583541 0.74 TAAR1 (0.64) SLC6A2TAAR1SMN1; SMN2HIF1AEPHX1

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
WO-2012115984-A2 POLYURETHANE DISPERSIONS AND METHODS OF MAKING AND USING SAME FELICE KRISTOPHER M (US) 2012-08-30 WO disclosed
EP-0354471-A1 Use of aqueous polyurethane dispersions as domestic universal adhesive and their preparation Henkel Kommanditgesellschaft auf Aktien (DE) 1990-02-14 EP disclosed