SCHEMBL23653630

SCHEMBL23653630

CC(C)N(C)c1c(F)cc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)(C)CC3CCN(c4ccc([C@H]5C[C@@]6(C)[C@@H](CC[C@@]6(O)C#CC(C)(C)C)[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]65)cc4)C3)[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]32)cc1F

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 20/20 0.58
▸ PGR P06401 19/20 0.58
▸ AR P10275 16/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2C8 P10632 1/20 0.46

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
SCHEMBL20048249 0.82 NR3C1 (0.77) NR3C1PGRARCYP3A4
SCHEMBL20048340 0.77 NR3C1 (0.79) NR3C1PGRARCYP3A4
SCHEMBL20048342 0.76 NR3C1 (0.85) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL20048406 0.75 NR3C1 (0.84) NR3C1PGRARCYP2C8
SCHEMBL20048238 0.75 NR3C1 (1.00) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL21143406 0.75 NR3C1 (1.00) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL20048236 0.75 NR3C1 (0.88) NR3C1PGRARCYP3A4
SCHEMBL20048341 0.73 NR3C1 (1.00) NR3C1PGRARCYP3A4
SCHEMBL20048086 0.73 NR3C1 (1.00) NR3C1PGRARCYP3A4
SCHEMBL21729672 0.72 NR3C1 (0.71) NR3C1PGRARCYP2C8

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
EP-3851444-A1 INHIBITORS OF GLUCOCORTICOID RECEPTOR Oric Pharmaceuticals, Inc. (US) 2021-07-21 — — EP disclosed
Send feedback