SCHEMBL5593634

SCHEMBL5593634

COCCCC[C@H](c1cccc(Cl)c1Cl)[C@H]1CCCNC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 18/20 0.41
SLC6A4 P31645 18/20 0.41
SLC6A3 Q01959 18/20 0.41
KCNH2 Q12809 6/20 0.41
CYP2D6 P10635 3/20 0.41
REN P00797 2/20 0.39
OPRK1 P41145 1/20 0.36
CYP3A4 P08684 1/20 0.35

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
SCHEMBL5593346 0.90 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL4754589 0.89 REN (0.41) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL4755799 0.89 REN (0.41) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL5593564 0.83 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3REN
SCHEMBL5613173 0.82 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3REN
SCHEMBL3879197 0.79 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL5593301 0.78 SLC6A2 (0.35) SLC6A2SLC6A4KCNH2CYP2D6REN
SCHEMBL3881258 0.78 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3REN
SCHEMBL5592047 0.77 REN (0.34) SLC6A2SLC6A4SLC6A3REN
SCHEMBL5612896 0.77 REN (0.33) SLC6A2SLC6A4SLC6A3KCNH2REN

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-2007110627-A2 3,7-DIAMINO-10H-PHENOTHIAZINE SALTS AND THEIR USE WISTA LABORATORIES LTD. (SG) 2007-10-04 WO disclosed