SCHEMBL19447376

SCHEMBL19447376

Cc1ccc(F)cc1C(=O)N1CCCCC1c1cc2nc(N3CCC(N)C3)c(C)cn2n1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
GRM5 P41594 2/20 0.36
HCRTR1 O43613 4/20 0.36
HCRTR2 O43614 4/20 0.36
PDE2A O00408 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
SCHEMBL15072873 1.00 KMT2A (0.37) KMT2AGRM5HCRTR1HCRTR2PDE2A
SCHEMBL15072883 0.94 GRM5 (0.39) KMT2AGRM5PDE2A
SCHEMBL15072930 0.94 KMT2A (0.36) KMT2AGRM5HCRTR1HCRTR2
SCHEMBL2738251 0.93 HCRTR1 (0.38) KMT2AGRM5HCRTR1HCRTR2PDE2A
SCHEMBL19447243 0.93 GRM5 (0.44) KMT2AGRM5HCRTR1HCRTR2
SCHEMBL15072882 0.93 GRM5 (0.44) KMT2AGRM5HCRTR1HCRTR2
SCHEMBL2737738 0.92 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL15072971 0.92 HCRTR1 (0.39) KMT2AGRM5HCRTR1HCRTR2
SCHEMBL17445223 0.92 HCRTR1 (0.37) KMT2AGRM5HCRTR1HCRTR2
SCHEMBL15077264 0.91 GRM5 (0.37) GRM5HCRTR1HCRTR2PDE2A

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
EP-2794611-B1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES INC (US) 2017-10-11 EP disclosed