Finasteride

SCHEMBL298276

CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C.Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SRD5A2

The experimentally established mechanism targets of Finasteride. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	SRD5A2 known ✓	P31213	11/20	0.56

▸	SRD5A1	P18405	18/20	0.56

▸	LMNA	P02545	2/20	0.56

▸	CYP3A4	P08684	2/20	0.56

▸	CYP2C9	P11712	2/20	0.56

▸	CYP2C19	P33261	2/20	0.56

▸	ABCC4	O15439	1/20	0.56

▸	ABCB11	O95342	1/20	0.56

▸	ADORA3	P0DMS8	1/20	0.56

▸	CHRM1	P11229	1/20	0.56

▸	HSD3B1	P14060	1/20	0.56

▸	NFKB1	P19838	1/20	0.56

▸	MAPK1	P28482	1/20	0.56

▸	THPO	P40225	1/20	0.56

▸	BLM	P54132	1/20	0.56

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
Finasteride SCHEMBL1560981	0.74	SRD5A1 (1.00)	SRD5A1SRD5A2LMNACYP3A4CYP2C9
Finasteride SCHEMBL5509	0.74	SRD5A1 (1.00)	SRD5A1SRD5A2LMNACYP3A4CYP2C9
Finasteride SCHEMBL3982016	0.74	SRD5A1 (1.00)	SRD5A1SRD5A2LMNACYP3A4CYP2C9
Finasteride SCHEMBL13575812	0.74	SRD5A1 (1.00)	SRD5A1SRD5A2LMNACYP3A4CYP2C9
Finasteride SCHEMBL5148287	0.74	SRD5A1 (1.00)	SRD5A1SRD5A2LMNACYP3A4CYP2C9
Finasteride SCHEMBL22032590	0.74	SRD5A1 (1.00)	SRD5A1SRD5A2LMNACYP3A4CYP2C9
Finasteride SCHEMBL21969512	0.74	SRD5A1 (1.00)	SRD5A1SRD5A2LMNACYP3A4CYP2C9
Finasteride SCHEMBL21969513	0.74	SRD5A1 (1.00)	SRD5A1SRD5A2LMNACYP3A4CYP2C9
Finasteride SCHEMBL22564355	0.74	SRD5A1 (1.00)	SRD5A1SRD5A2LMNACYP3A4CYP2C9
Finasteride SCHEMBL11909	0.74	SRD5A1 (1.00)	SRD5A1SRD5A2LMNACYP3A4CYP2C9

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-2427178-A2	DERMAL DELIVERY COMPOSITIONS COMPRISING ACTIVE AGENT-CALCIUM PHOSPHATE PARTICLE COMPLEXES AND METHODS OF USING THE SAME	Laboratory Skin Care, Inc. (US)	2012-03-14	—	—	EP	disclosed
WO-2010129819-A2	DERMAL DELIVERY COMPOSITIONS COMPRISING ACTIVE AGENT-CALCIUM PHOSPHATE PARTICLE COMPLEXES AND METHODS OF USING THE SAME	LABORATORY SKIN CARE, INC. (US)	2010-11-11	—	—	WO	disclosed