SCHEMBL13160402

SCHEMBL13160402

CC(C)C(O)(Cc1cc2ccncc2[nH]1)CC1(C)CCN(C)c2ccc(F)cc21

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 19/20 0.51
NR3C2 P08235 12/20 0.51
PGR P06401 9/20 0.42
CYP3A4 P08684 1/20 0.42
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38

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
SCHEMBL3426864 0.88 NR3C1 (0.53) NR3C1NR3C2PGRCYP3A4
SCHEMBL3426677 0.86 NR3C1 (0.53) NR3C1NR3C2PGRCYP3A4PRMT5
SCHEMBL3426216 0.83 NR3C1 (0.53) NR3C1NR3C2PGRCYP3A4
SCHEMBL3422129 0.81 NR3C1 (0.53) NR3C1NR3C2PGRCYP3A4
SCHEMBL3429584 0.75 NR3C1 (0.61) NR3C1NR3C2PGRCYP3A4
SCHEMBL3424918 0.71 NR3C1 (0.55) NR3C1NR3C2PGRCYP3A4
SCHEMBL3424774 0.70 NR3C1 (0.45) NR3C1NR3C2PGR
SCHEMBL3428026 0.70 NR3C1 (0.54) NR3C1NR3C2PGRCYP3A4
SCHEMBL3428653 0.70 NR3C1 (0.56) NR3C1NR3C2PGRCYP3A4
SCHEMBL3424798 0.69 NR3C1 (0.56) NR3C1NR3C2PGRCYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795272-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) 2010-09-14 US disclosed
US-7795272-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) 2010-09-14 US disclosed