SCHEMBL5772041

SCHEMBL5772041

CC(c1ccc(F)cc1)N1Cc2cncn2C(c2ccc(Br)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.38
CYP11B2 P19099 7/20 0.38
CYP19A1 P11511 2/20 0.37
HSD11B1 P28845 4/20 0.37
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KCNH2 Q12809 1/20 0.35
MDM2 Q00987 2/20 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
SCHEMBL3563209 0.89 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1CYP3A4ALDH1A1
SCHEMBL3567431 0.89 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1CYP3A4ALDH1A1
SCHEMBL3578115 0.89 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1CYP3A4ALDH1A1
SCHEMBL3579225 0.89 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1CYP3A4ALDH1A1
SCHEMBL3570956 0.89 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1CYP3A4ALDH1A1
SCHEMBL3567442 0.89 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1CYP3A4ALDH1A1
SCHEMBL3564579 0.78 CYP11B1 (0.39) CYP11B1CYP11B2CYP3A4ALDH1A1
SCHEMBL3575534 0.78 CYP11B1 (0.39) CYP11B1CYP11B2CYP3A4ALDH1A1
SCHEMBL3569834 0.78 CYP11B1 (0.39) CYP11B1CYP11B2CYP3A4ALDH1A1
SCHEMBL3568294 0.78 CYP11B1 (0.39) CYP11B1CYP11B2CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537114-B1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2006-08-09 EP claimed