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SCHEMBL8585461

SCHEMBL8585461

CCC(=O)NN1C(=O)CC[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)CCC[C@@H]12

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 1/20 0.44
▸ SRD5A2 P31213 1/20 0.44
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43

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
SCHEMBL7527164 0.77 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL7802581 0.77 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL8682897 0.76 SRD5A1 (0.42) SRD5A1SRD5A2GRIN1GRIN2B
SCHEMBL9152806 0.75 SRD5A2 (0.50) SRD5A2GRIN1GRIN2B
SCHEMBL9318018 0.74 CYP19A1 (0.44) SRD5A1SRD5A2
SCHEMBL29843057 0.74 CYP19A1 (0.44) SRD5A1SRD5A2
SCHEMBL8996738 0.73 SRD5A1 (0.46) SRD5A1SRD5A2
SCHEMBL15121576 0.70 AR (0.42) SRD5A2
SCHEMBL8076029 0.70 NR1I3 (0.47) GRIN1GRIN2B
Propionic Acid SCHEMBL12694801 0.70 GPBAR1 (0.57) SRD5A2GRIN1GRIN2B

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
EP-0792371-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1998-12-30 — — EP disclosed
EP-0792371-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-09-03 — — EP disclosed
WO-1996012817-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 — — WO disclosed