SCHEMBL8996751

SCHEMBL8996751

C[C@H]1[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@H]2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)CCC[C@H]3[C@H]12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CRHBP P24387 1/20 0.30
GFER P55789 1/20 0.30
CRHR2 Q13324 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
SRD5A2 P31213 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8524188 1.00 SRD5A1 (0.36) SRD5A1SMN1; SMN2KDM4EALDH1A1CRHBP
SCHEMBL8523662 0.89 STS (0.30) SRD5A1SRD5A2
SCHEMBL8523677 0.88 STS (0.32)
SCHEMBL8522770 0.88 PLA2G7 (0.33) SRD5A1
SCHEMBL8523449 0.88 SRD5A1 (0.33) SRD5A1
SCHEMBL8524175 0.88 SRD5A1 (0.36) SRD5A1SRD5A2
SCHEMBL8522899 0.88 STS (0.32)
SCHEMBL8996728 0.87 TRPC6 (0.35)
SCHEMBL8523925 0.87 TRPC6 (0.35)
SCHEMBL8524254 0.87 EPHX2 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724592-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO. INC. (US) 1996-08-07 EP disclosed
WO-1995011254-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO., INC. (US) 1995-04-27 WO disclosed