SCHEMBL8934611

SCHEMBL8934611

c1cc(NC2=NCCS2)ccc1CCN1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
NPY1R P25929 11/20 0.46
AOC3 Q16853 1/20 0.44
KCNH2 Q12809 2/20 0.44
KCNJ1 P48048 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
SLC6A4 P31645 2/20 0.42
HPGD P15428 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL8934491 0.85 POLB (0.48) POLBNPY1RAOC3SIGMAR1
SCHEMBL8934627 0.80 AOC3 (0.53) POLBNPY1RAOC3
SCHEMBL8934519 0.75 POLB (0.54) POLBNPY1RAOC3HPGD
SCHEMBL9629092 0.73 POLB (0.55) POLBNPY1RAOC3HPGD
SCHEMBL8722548 0.73 KCNH2 (0.50) POLBKCNH2KCNJ1SIGMAR1SLC6A4
SCHEMBL9629111 0.72 POLB (0.54) POLBNPY1RAOC3HPGD
SCHEMBL9628458 0.71 POLB (0.53) POLBNPY1RAOC3HPGD
SCHEMBL9628041 0.71 POLB (0.53) POLBNPY1RAOC3HPGD
SCHEMBL9628556 0.71 POLB (0.53) POLBNPY1RAOC3HPGD
SCHEMBL8934522 0.68 POLB (0.52) POLBNPY1RAOC3HPGD

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-1996030350-A1 AMIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-03 WO disclosed