SCHEMBL5537148

SCHEMBL5537148

COc1ccc(F)cc1C1(C(O)(CO)C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
NR3C2 P08235 10/20 0.39
NR3C1 P04150 18/20 0.39

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
SCHEMBL1635258 0.80 NR3C1 (0.42) HTR2AHTR2CHTR2BNR3C2NR3C1
SCHEMBL4816885 0.70 NR3C1 (0.40) HTR2AHTR2CHTR2BNR3C2NR3C1
SCHEMBL1633723 0.68 HTR2A (0.42) HTR2AHTR2CHTR2BNR3C2NR3C1
SCHEMBL19205409 0.68 SIGMAR1 (0.47) HTR2AHTR2CHTR2B
SCHEMBL1775217 0.68 NR3C1 (0.71) NR3C2NR3C1
SCHEMBL1634952 0.68 NR3C1 (0.71) NR3C2NR3C1
SCHEMBL23232573 0.67 HTR2A (0.52) HTR2AHTR2CHTR2B
SCHEMBL30741563 0.67 HTR2A (0.52) HTR2AHTR2CHTR2B
SCHEMBL1634501 0.67 ALDH1A1 (0.43) HTR2AHTR2CHTR2BNR3C2NR3C1
SCHEMBL6178145 0.65 SIGMAR1 (0.68) HTR2AHTR2CHTR2B

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-7268152-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed