SCHEMBL8931595

CCCCCCCCCCCCCCCCCC(=O)NC(C)[C@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C.CN1C(=O)CC[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(CNc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC[C@@H]12

nearest known ligand 0.47

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	HSD17B7	P56937	1/20	0.46

▸	SRD5A1	P18405	6/20	0.45

▸	SRD5A2	P31213	3/20	0.45

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.

Compound	similarity	top predicted	shared targets
SCHEMBL8525138	0.85	HSD17B7 (0.61)	HSD17B7SRD5A1SRD5A2
SCHEMBL8525142	0.85	HSD17B7 (0.61)	HSD17B7SRD5A1SRD5A2
SCHEMBL8525689	0.75	HSD17B7 (0.57)	HSD17B7SRD5A1SRD5A2
SCHEMBL8495275	0.75	SRD5A1 (0.49)	SRD5A1SRD5A2
SCHEMBL8495272	0.75	SRD5A1 (0.49)	SRD5A1SRD5A2
SCHEMBL8723431	0.75	SRD5A1 (0.62)	HSD17B7SRD5A1SRD5A2
SCHEMBL8723433	0.75	SRD5A1 (0.62)	HSD17B7SRD5A1SRD5A2
SCHEMBL8525379	0.72	AR (0.58)	SRD5A1SRD5A2
SCHEMBL8525376	0.72	AR (0.58)	SRD5A1SRD5A2
SCHEMBL7751296	0.72	HSD17B7 (0.61)	HSD17B7SRD5A1SRD5A2

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
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