SCHEMBL8077698

SCHEMBL8077698

CCOc1ccccc1NC(=O)NCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.54
SRD5A2 P31213 2/20 0.47
KCNH2 Q12809 4/20 0.44
SRD5A1 P18405 1/20 0.42

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
SCHEMBL8077696 1.00 AR (0.54) ARSRD5A2KCNH2SRD5A1
SCHEMBL8074335 0.86 SRD5A1 (0.53) SRD5A2SRD5A1
SCHEMBL8074330 0.86 SRD5A1 (0.53) SRD5A2SRD5A1
SCHEMBL8079259 0.79 NR1H4 (0.40)
SCHEMBL8498127 0.78 AR (0.57) ARSRD5A2KCNH2SRD5A1
SCHEMBL8903390 0.77 AR (0.49) ARSRD5A2KCNH2SRD5A1
SCHEMBL8904418 0.77 AR (0.53) ARSRD5A2KCNH2SRD5A1
SCHEMBL14184859 0.76 AR (0.54) ARSRD5A2KCNH2
SCHEMBL8496653 0.76 AR (0.54) ARSRD5A2KCNH2SRD5A1
SCHEMBL8765894 0.76 AR (0.60) ARSRD5A2KCNH2SRD5A1

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-0641208-B1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO INC (US) 2000-08-02 EP claimed