SCHEMBL5794259

SCHEMBL5794259

O=c1c2cc(Oc3ccc(F)cc3)ccc2nc(-c2ccc(OCc3ccccc3)cc2)n1CC1CCCNC1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 6/20 0.73
CYP2D6 P10635 4/20 0.52
KCNH2 Q12809 4/20 0.49
PDE6D O43924 2/20 0.44
BRD4 O60885 1/20 0.44
POLB P06746 1/20 0.42
ABCC1 P33527 1/20 0.42
AVPR1B P47901 2/20 0.40
MAPK14 Q16539 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH3 Q9Y5N1 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
SCHEMBL5807103 0.90 GHSR (0.73) GHSRCYP2D6KCNH2BRD4ABCC1
SCHEMBL20528727 0.84 GHSR (1.00) GHSRCYP2D6KCNH2BRD4AVPR1B
SCHEMBL20528724 0.84 GHSR (1.00) GHSRCYP2D6KCNH2BRD4AVPR1B
SCHEMBL5791022 0.83 GHSR (0.85) GHSRCYP2D6KCNH2BRD4AVPR1B
SCHEMBL20528718 0.82 GHSR (0.71) GHSRCYP2D6KCNH2BRD4AVPR1B
SCHEMBL5791482 0.82 GHSR (0.71) GHSRCYP2D6KCNH2BRD4AVPR1B
SCHEMBL5791450 0.81 GHSR (0.73) GHSRCYP2D6KCNH2BRD4
SCHEMBL20528765 0.79 GHSR (0.72) GHSRCYP2D6KCNH2BRD4
SCHEMBL20528767 0.79 GHSR (0.72) GHSRCYP2D6KCNH2BRD4
SCHEMBL20528751 0.79 GHSR (0.68) GHSRCYP2D6KCNH2BRD4

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-2006012577-A2 QUINAZOLINONE DERIVATIVES USEFUL FOR THE REGULATION OF GLUCOSE HOMEOSTASIS AND FOOD INTAKE BAYER PHARMACEUTICALS CORPORATION (US) 2006-02-02 WO disclosed