SCHEMBL6798965

SCHEMBL6798965

OCCC1CNCCN1c1ccc(Br)cn1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
SLC6A2 P23975 6/20 0.37
SLC6A4 P31645 6/20 0.37
SLC6A3 Q01959 6/20 0.37
CYP2D6 P10635 5/20 0.37
PDE10A Q9Y233 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
SCHEMBL6798958 0.74 PANK3 (0.36)
SCHEMBL20141404 0.74 FPR2 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL21812384 0.71 MKNK1 (0.44) PDE10A
SCHEMBL14663800 0.71 SLC6A2 (0.48) CA1CA2CA4CA9SLC6A2
SCHEMBL15205316 0.71 MKNK1 (0.44) PDE10A
SCHEMBL10385636 0.71 SLC6A4 (0.66) CA1CA2CA4CA9SLC6A2
SCHEMBL24881100 0.69 PDE10A (0.42) PDE10A
SCHEMBL30112432 0.69 PDE10A (0.42) PDE10A
SCHEMBL344799 0.69 PDE10A (0.55) PDE10A
SCHEMBL27865380 0.68 SLC6A4 (0.48) CA1CA2CA4CA9SLC6A2

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
US-6689779-B2 PYRIDINE OR PYRIMIDINE SUBSTITUTED; ANTIBACTERIAL ACTIVITY; LOW TOXICITY DONG A PHARM. CO., LTD. (KR) 2004-02-10 US disclosed