SCHEMBL16900038

SCHEMBL16900038

O=c1[nH]c(CCCC(F)(F)F)nc2c1ccn2C1CCC(F)(F)CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 5/20 0.35
▸ TNKS O95271 5/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.34
▸ PDE9A O76083 13/20 0.34
▸ PARP2 Q9UGN5 3/20 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
SCHEMBL16900049 0.82 PDE9A (0.46) PDE9A
SCHEMBL6341933 0.82 PDE9A (0.53) PDE9A
SCHEMBL16900048 0.80 PDE9A (0.48) PDE9A
SCHEMBL16900034 0.76 PDE9A (0.38) PDE9A
SCHEMBL16900037 0.76 PDE9A (0.41) PDE9A
SCHEMBL16900063 0.75 PDE9A (0.37) PDE9A
SCHEMBL16900036 0.74 PDE9A (0.41) PDE9A
SCHEMBL16900035 0.74 L3MBTL1 (0.41) PDE9A
SCHEMBL16900031 0.71 PDE9A (0.39) PDE9A
SCHEMBL6339076 0.69 PDE9A (0.57) PDE9A

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-9079905-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 — — US disclosed
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