SCHEMBL9620150

SCHEMBL9620150

CN(C)CCCNC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.62
SRD5A1 P18405 2/20 0.62
AR P10275 1/20 0.62

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
SCHEMBL9620153 1.00 SRD5A2 (0.62) SRD5A2SRD5A1AR
SCHEMBL8764686 0.90 SRD5A2 (0.64) SRD5A2SRD5A1AR
SCHEMBL9318924 0.90 SRD5A2 (0.64) SRD5A2SRD5A1AR
SCHEMBL12423996 0.87 SRD5A2 (0.65) SRD5A2SRD5A1AR
SCHEMBL12384448 0.87 SRD5A2 (0.65) SRD5A2SRD5A1AR
SCHEMBL9309301 0.85 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL8823378 0.85 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL8823375 0.85 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL9394194 0.83 SRD5A2 (0.65) SRD5A2SRD5A1AR
SCHEMBL9393507 0.83 SRD5A2 (0.65) SRD5A2SRD5A1AR

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
US-5155107-A Inhibiting androgen action, anticarcinogenic agents, treating skin disorders, baldness FARMITALIA CARLO ERBA (IT) 1992-10-13 US disclosed