SCHEMBL536894

SCHEMBL536894

C[C@@]12CCC[C@H]1[C@@H]1CCC3NCCC[C@]3(C)[C@H]1CC2

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
NR1I3 Q14994 1/20 0.49
GRIN1 Q05586 7/20 0.42
GRIN2B Q13224 7/20 0.42
MBOAT4 Q96T53 3/20 0.38
CYP19A1 P11511 3/20 0.36
AKR1B10 O60218 1/20 0.34

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
SCHEMBL994647 1.00 CDK5 (0.49) CDK5CDK5R1NR1I3GRIN1GRIN2B
SCHEMBL994646 1.00 CDK5 (0.49) CDK5CDK5R1NR1I3GRIN1GRIN2B
SCHEMBL17487194 0.87 CDK5 (0.45) CDK5CDK5R1NR1I3GRIN1GRIN2B
SCHEMBL3869935 0.78 SRD5A1 (0.38) CDK5CDK5R1CYP19A1
SCHEMBL15121547 0.78 SRD5A1 (0.38) CDK5CDK5R1CYP19A1
SCHEMBL3869928 0.78 SRD5A1 (0.38) CDK5CDK5R1CYP19A1
SCHEMBL513488 0.77 CDK5 (0.33) CDK5CDK5R1NR1I3
SCHEMBL9066105 0.74 CYP19A1 (0.61) CYP19A1AKR1B10
SCHEMBL8079491 0.74 SRD5A2 (0.37) CYP19A1
SCHEMBL8079488 0.74 SRD5A2 (0.37) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705272-B1 NOVEL PROCESS FOR PREPARING 17 BETA-SUBSTITUTED 4-AZAANDROSTANE DERIVATIVES RICHTER GEDEON VEGYESZET (HU) 2002-03-27 EP claimed
EP-0705272-A1 NOVEL PROCESS FOR PREPARING 17 BETA-SUBSTITUTED 4-AZAANDROSTANE DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1996-04-10 EP claimed
EP-0662977-A1 NOVEL 17$g(b)-SUBSTITUTED 4-AZAANDROSTANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1995-07-19 EP claimed
WO-1995000531-A1 NOVEL PROCESS FOR PREPARING 17β-SUBSTITUTED 4-AZAANDROSTANE DERIVATIVES Richter Gedeon Vegyészeti Gyár Rt. (HU) 1995-01-05 WO claimed
WO-1994007909-A1 NOVEL 17β-SUBSTITUTED 4-AZAANDROSTANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1994-04-14 WO claimed
EP-2414378-A1 PURIFICATION 4-AZA-ANDROST-1-ENE-17-OIC ACID FROM 4-AZA-ANDROSTAN-17-OIC ACID PHF SA (CH) 2012-02-08 EP disclosed
EP-0705272-B1 NOVEL PROCESS FOR PREPARING 17 BETA-SUBSTITUTED 4-AZAANDROSTANE DERIVATIVES RICHTER GEDEON VEGYESZET (HU) 2002-03-27 EP disclosed
EP-0705272-B1 NOVEL PROCESS FOR PREPARING 17 BETA-SUBSTITUTED 4-AZAANDROSTANE DERIVATIVES RICHTER GEDEON VEGYESZET (HU) 2002-03-27 EP disclosed
US-5583138-A REDUCTASE INHIBITOR; SKIN DISORDERS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1996-12-10 US disclosed
US-5583138-A REDUCTASE INHIBITOR; SKIN DISORDERS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1996-12-10 US disclosed
US-5583138-A REDUCTASE INHIBITOR; SKIN DISORDERS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1996-12-10 US disclosed
EP-0705272-A1 NOVEL PROCESS FOR PREPARING 17 BETA-SUBSTITUTED 4-AZAANDROSTANE DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1996-04-10 EP disclosed
EP-0705272-A1 NOVEL PROCESS FOR PREPARING 17 BETA-SUBSTITUTED 4-AZAANDROSTANE DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1996-04-10 EP disclosed
EP-0662977-A1 NOVEL 17$g(b)-SUBSTITUTED 4-AZAANDROSTANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1995-07-19 EP disclosed
WO-1995000531-A1 NOVEL PROCESS FOR PREPARING 17β-SUBSTITUTED 4-AZAANDROSTANE DERIVATIVES Richter Gedeon Vegyészeti Gyár Rt. (HU) 1995-01-05 WO disclosed
WO-1995000531-A1 NOVEL PROCESS FOR PREPARING 17β-SUBSTITUTED 4-AZAANDROSTANE DERIVATIVES Richter Gedeon Vegyészeti Gyár Rt. (HU) 1995-01-05 WO disclosed
WO-1994007909-A1 NOVEL 17β-SUBSTITUTED 4-AZAANDROSTANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1994-04-14 WO disclosed