SCHEMBL5212103

SCHEMBL5212103

CN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(C(=O)NC(C)(O)c3ccccc3)CC[C@@H]12

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.67
SRD5A2 P31213 4/20 0.56
SRD5A1 P18405 3/20 0.56
KCNH2 Q12809 2/20 0.53
ABCC4 O15439 1/20 0.51
ABCB11 O95342 1/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CHRM1 P11229 1/20 0.51
CYP2C9 P11712 1/20 0.51
HSD3B1 P14060 1/20 0.51
NFKB1 P19838 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
THPO P40225 1/20 0.51
BLM P54132 1/20 0.51

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
SCHEMBL9022270 0.92 AR (0.68) ARSRD5A2SRD5A1KCNH2ABCC4
SCHEMBL9022263 0.92 AR (0.68) ARSRD5A2SRD5A1KCNH2ABCC4
SCHEMBL9022545 0.92 AR (0.68) ARSRD5A2SRD5A1KCNH2ABCC4
SCHEMBL9022541 0.92 AR (0.68) ARSRD5A2SRD5A1KCNH2ABCC4
SCHEMBL8376192 0.89 SRD5A2 (0.71) ARSRD5A2SRD5A1KCNH2ABCC4
SCHEMBL8376189 0.89 SRD5A2 (0.71) ARSRD5A2SRD5A1KCNH2ABCC4
SCHEMBL8074137 0.88 SRD5A2 (0.70) ARSRD5A2SRD5A1KCNH2
SCHEMBL8074134 0.88 SRD5A2 (0.70) ARSRD5A2SRD5A1KCNH2
SCHEMBL17471494 0.88 AR (0.67) ARSRD5A2SRD5A1KCNH2ABCC4
SCHEMBL7790540 0.88 AR (0.67) ARSRD5A2SRD5A1KCNH2ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1420796-A4 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2007-07-11 EP claimed
EP-1420796-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF Merck & Co., Inc. (US) 2004-05-26 EP claimed
WO-2003011302-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2003-02-13 WO claimed