SCHEMBL25907905

SCHEMBL25907905

O=c1c2cc(F)c(-c3ncc(C(F)(F)F)cn3)cc2ncn1CCC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.39
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ DRD2 P14416 1/20 0.35
▸ DRD5 P21918 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ GRK2 P25098 1/20 0.35
▸ DDR1 Q08345 4/20 0.34
▸ EIF4EBP1 Q13541 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ NR3C1 P04150 2/20 0.33
▸ HCRTR1 O43613 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
SCHEMBL25908034 0.90 DRD2 (0.40) ACHEDRD2DRD5DRD3GRK2
SCHEMBL25907670 0.89 ACHE (0.41) ACHELMNATSHRHTTNPSR1
SCHEMBL25907918 0.85 TIPARP (0.40) ACHELMNATSHRHTTNPSR1
SCHEMBL25902177 0.83 TIPARP (0.43) ACHEDRD2HCRTR1
SCHEMBL25901097 0.82 NPC1 (0.41) DRD2DRD5DRD3DDR1HTR7
SCHEMBL25907928 0.79 ACHE (0.36) ACHELMNATSHRHTTNPSR1
SCHEMBL25908025 0.79 EIF4EBP1 (0.39) ACHEDRD2DRD5DRD3GRK2
SCHEMBL25321300 0.79 TIPARP (0.40) HCRTR1
SCHEMBL30550839 0.79 TIPARP (0.40) HCRTR1
SCHEMBL30550931 0.78 TIPARP (0.41) —

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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