SCHEMBL7750772

SCHEMBL7750772

Clc1ccc(CCNC2CC2)cc1Cl.N#CCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.49
SLC6A4 P31645 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PNMT P11086 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
DPP4 P27487 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL29609180 0.78 IDO1 (0.52) SIGMAR1SLC6A4SLC6A2SLC6A3PNMT
SCHEMBL2308 0.78 IDO1 (0.52) SIGMAR1SLC6A4SLC6A2SLC6A3PNMT
SCHEMBL661887 0.77 POLB (0.40) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL2635861 0.74 SIGMAR1 (0.44) SIGMAR1SLC6A4SLC6A2SLC6A3TAAR1
SCHEMBL16033868 0.72 POLB (0.53) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL14304063 0.71 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL8189948 0.71 SIGMAR1 (0.50) SIGMAR1SLC6A4SLC6A2SLC6A3PNMT
Hydrochloric Acid SCHEMBL18130662 0.71 POLB (0.56) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL17186234 0.71 SIGMAR1 (0.54) SIGMAR1SLC6A4SLC6A2SLC6A3PNMT
SCHEMBL4635985 0.70 SIGMAR1 (0.63) SIGMAR1PNMTTAAR1

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-1066304-A1 MACROLIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 2001-01-10 EP disclosed
WO-1999050275-A2 MACROLIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 1999-10-07 WO disclosed