SCHEMBL7782680

SCHEMBL7782680

CCCC1CCc2c(cc(F)c(C#N)c2F)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
FYN P06241 1/20 0.36
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.30
DRD2 P14416 2/20 0.30
DRD3 P35462 2/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL24225155 0.87 FYN (0.36) ALDH1A1FYNMAPTDRD2DRD3
SCHEMBL24225307 0.86 ALDH1A1 (0.33) ALDH1A1FYNHTR1DHTR1BDRD2
SCHEMBL14526497 0.83 FYN (0.33) FYN
SCHEMBL24225167 0.82 FYN (0.32) FYN
SCHEMBL26371350 0.80 FYN (0.31) FYN
SCHEMBL14526492 0.80 FYN (0.31) FYNHTR1DHTR1B
SCHEMBL6159162 0.80 FYN (0.38) ALDH1A1FYNHTR1DHTR1BMAPT
SCHEMBL6159029 0.80 FYN (0.38) ALDH1A1FYNHTR1DHTR1BMAPT
SCHEMBL26371281 0.80 FYN (0.38) ALDH1A1FYNHTR1DHTR1BMAPT
SCHEMBL6731272 0.79 FYN (0.35) ALDH1A1FYNHTR1DHTR1B

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
JP-2001316347-A NAPHTHALENE DERIVATIVE DAINIPPON INK & CHEM INC 2001-11-13 JP disclosed