SCHEMBL8725617

SCHEMBL8725617

CCc1ccccc1NC(=O)NCC1CC[C@H]2[C@@H]3CCN4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
POLB P06746 3/20 0.37
MEN1 O00255 2/20 0.37
TAAR1 Q96RJ0 1/20 0.34
AR P10275 2/20 0.34
CCR3 P51677 1/20 0.33
SRD5A1 P18405 3/20 0.33
MAPT P10636 1/20 0.32
SRD5A2 P31213 2/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL8064054 0.78 SRD5A1 (0.56) ARSRD5A1SRD5A2
SCHEMBL8064052 0.78 SRD5A1 (0.56) ARSRD5A1SRD5A2
SCHEMBL8073934 0.74 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL8073932 0.74 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL9113667 0.73 SRD5A1 (0.42) ARSRD5A1MAPTSRD5A2
SCHEMBL8931601 0.70 GPBAR1 (0.39) CCR3SRD5A1SRD5A2
SCHEMBL8071797 0.68 SRD5A1 (0.47) SRD5A1SRD5A2
SCHEMBL8071800 0.68 SRD5A1 (0.47) SRD5A1SRD5A2
SCHEMBL9110856 0.67 ALDH1A1 (0.36) KMT2AMEN1ARSRD5A1MAPT
SCHEMBL8074047 0.66 SRD5A1 (0.56) SRD5A1SRD5A2

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
US-5710275-A ENZYME AND HORMONE INHIBITORS MERCK & CO., INC. (US) 1998-01-20 US disclosed
EP-0778284-A2 New 7-beta-substituted-4-aza-5alpha-androstan-3-ones as 5alpha-reductase inhibitors MERCK & CO. INC. (US) 1997-06-11 EP disclosed
EP-0572166-A1 New 7beta-substituted-4-aza-5a-androstan-3-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 EP disclosed