SCHEMBL8932022

SCHEMBL8932022

N#Cc1ccccc1CCCCC(c1ccc(C(F)(F)F)cc1)n1ccc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.42
SLC6A4 P31645 6/20 0.40
MC4R P32245 2/20 0.37
GCGR P47871 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
AR P10275 2/20 0.31
PGR P06401 1/20 0.31
ALOX5AP P20292 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CNR2 P34972 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
SCHEMBL8912814 0.74 GCGR (0.43) SLC6A2GCGRAR
SCHEMBL28248440 0.65 CYP19A1 (0.46) SLC6A2SLC6A4ALDH1A1MAPTSMN1; SMN2
SCHEMBL27668185 0.62 SLC6A2 (0.61) SLC6A2SLC6A4MC4RALDH1A1SMN1; SMN2
SCHEMBL5731601 0.62 SLC6A2 (0.73) SLC6A2SLC6A4
SCHEMBL28248935 0.62 CYP19A1 (0.46) SLC6A2SLC6A4ALDH1A1MAPTSMN1; SMN2
SCHEMBL2072429 0.61 SLC6A4 (0.67) SLC6A2SLC6A4
SCHEMBL2074103 0.61 SLC6A4 (0.67) SLC6A2SLC6A4
SCHEMBL6087730 0.61 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2
SCHEMBL2073887 0.61 SLC6A4 (0.67) SLC6A2SLC6A4
SCHEMBL9195174 0.60 SLC6A2 (1.00) SLC6A2SLC6A4

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-5693633-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1997-12-02 US disclosed