SCHEMBL8714510

SCHEMBL8714510

COC1C(c2ncn(C)n2)C(OCCc2ccc3ccccc3n2)CCC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.39
HCRTR1 O43613 4/20 0.33
HCRTR2 O43614 4/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8717311 0.92 PDE10A (0.36) PDE10AHCRTR1HCRTR2
SCHEMBL8715055 0.86 PDE10A (0.38) PDE10AHCRTR1HCRTR2
SCHEMBL8713734 0.84 PDE10A (0.39) PDE10AHCRTR1HCRTR2MEN1MAPT
SCHEMBL8714661 0.84 PDE10A (0.36) PDE10AHCRTR1HCRTR2
SCHEMBL9244570 0.80 CYP1A2 (0.35) PDE10AHCRTR1HCRTR2
SCHEMBL8719748 0.80 CYP1A2 (0.35) PDE10AHCRTR1HCRTR2
SCHEMBL8714654 0.79 CYP1A2 (0.34) PDE10AHCRTR1HCRTR2
SCHEMBL8720642 0.77 CNR2 (0.36) HCRTR1HCRTR2MEN1MAPTKMT2A
SCHEMBL9243685 0.77 CALCA (0.35) PDE10AHCRTR1HCRTR2
SCHEMBL9245399 0.77 REN (0.34) PDE10AHCRTR1HCRTR2

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-5719291-A FUNGICIDE HOFFMANN-LA ROCHE INC. (US) 1998-02-17 US disclosed