SCHEMBL25898569

SCHEMBL25898569

CCCCCn1ccc2cc(-c3ccc(C4(C(F)(F)F)CC4)cn3)cc(F)c2c1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 15/20 0.41
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PDE1A P54750 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ PDE1C Q14123 1/20 0.34
▸ GLO1 Q04760 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.32

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
SCHEMBL25898067 0.83 GRM2 (0.47) GRM2GLO1
SCHEMBL25898581 0.80 GRM2 (0.44) GRM2KDM4ELMNAMAPTHTT
SCHEMBL25322286 0.80 TIPARP (0.53) —
SCHEMBL25322280 0.80 TIPARP (0.53) —
SCHEMBL26658705 0.80 TIPARP (0.53) —
SCHEMBL25898051 0.79 KDM4E (0.44) GRM2KDM4EHTTGLO1
SCHEMBL25898732 0.77 GRM2 (0.51) GRM2
SCHEMBL25897776 0.76 GRM2 (0.46) GRM2KDM4ELMNAMAPTHTT
SCHEMBL25320933 0.74 GRM2 (0.35) GRM2
SCHEMBL25320929 0.74 GRM2 (0.35) GRM2

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-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — WO disclosed
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