Sugi Predict

Sugi Predict / Compounds / SCHEMBL8499279

SCHEMBL8499279

SCHEMBL8499279

CC(=O)NC([C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.58
▸ KCNH2 Q12809 5/20 0.55
▸ SRD5A2 P31213 1/20 0.54

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
SCHEMBL8499041 0.82 AR (0.61) ARKCNH2SRD5A2
SCHEMBL8496146 0.82 AR (0.61) ARKCNH2SRD5A2
SCHEMBL8498413 0.81 AR (0.60) ARKCNH2SRD5A2
SCHEMBL8499496 0.81 AR (0.60) ARKCNH2SRD5A2
SCHEMBL8499485 0.80 AR (0.58) ARKCNH2SRD5A2
SCHEMBL8500110 0.79 AR (0.57) ARKCNH2SRD5A2
SCHEMBL8072517 0.78 AR (0.54) ARKCNH2SRD5A2
SCHEMBL13403555 0.78 AR (0.69) ARKCNH2SRD5A2
SCHEMBL8079140 0.78 AR (0.63) ARKCNH2SRD5A2
SCHEMBL8079142 0.78 AR (0.63) ARKCNH2SRD5A2

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-0649431-B1 17-AMINO SUBSTITUTED 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO INC (US) 1999-08-11 — — EP claimed