SCHEMBL459367

SCHEMBL459367

Cc1c(F)cncc1-c1nc2cc(F)c(F)cc2n1C1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 19/20 1.00
CYP11B1 P15538 18/20 1.00
CYP3A4 P08684 1/20 1.00
CYP19A1 P11511 2/20 0.63
ADRA2B P18089 1/20 0.63

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
SCHEMBL10175800 0.91 CYP11B2 (1.00) CYP11B2CYP11B1CYP3A4CYP19A1ADRA2B
SCHEMBL10175802 0.87 CYP11B2 (0.76) CYP11B2CYP11B1CYP3A4CYP19A1ADRA2B
SCHEMBL10175440 0.86 CYP11B2 (0.76) CYP11B2CYP11B1CYP3A4CYP19A1ADRA2B
SCHEMBL17896683 0.85 CYP11B2 (0.74) CYP11B2CYP11B1CYP3A4CYP19A1ADRA2B
SCHEMBL17896731 0.84 CYP11B1 (0.72) CYP11B2CYP11B1CYP3A4CYP19A1ADRA2B
SCHEMBL31411949 0.83 CYP11B2 (1.00) CYP11B2CYP11B1CYP3A4CYP19A1
SCHEMBL20337629 0.83 CYP11B2 (1.00) CYP11B2CYP11B1CYP3A4CYP19A1
SCHEMBL10175597 0.82 CYP11B2 (1.00) CYP11B2CYP11B1CYP3A4CYP19A1
SCHEMBL20338266 0.82 CYP11B2 (1.00) CYP11B2CYP11B1CYP3A4
SCHEMBL10175803 0.82 CYP11B2 (1.00) CYP11B2CYP11B1CYP3A4CYP19A1ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118026996-A Preparation method of 1-cyclopropyl-5, 6-difluoro-2- (5-fluoro-4-methylpyridine-3-yl) -1H-benzo [ d ] imidazole 无锡捷化医药科技有限公司 2024-05-14 CN claimed
EP-2595482-A1 ALDOSTERONE SYNTHASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-29 EP claimed
WO-2012012478-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-26 WO claimed
CN-118026996-A Preparation method of 1-cyclopropyl-5, 6-difluoro-2- (5-fluoro-4-methylpyridine-3-yl) -1H-benzo [ d ] imidazole 无锡捷化医药科技有限公司 2024-05-14 CN disclosed
CN-118026996-A Preparation method of 1-cyclopropyl-5, 6-difluoro-2- (5-fluoro-4-methylpyridine-3-yl) -1H-benzo [ d ] imidazole 无锡捷化医药科技有限公司 2024-05-14 CN disclosed
CN-118026996-A Preparation method of 1-cyclopropyl-5, 6-difluoro-2- (5-fluoro-4-methylpyridine-3-yl) -1H-benzo [ d ] imidazole 无锡捷化医药科技有限公司 2024-05-14 CN disclosed
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
EP-2595482-A1 ALDOSTERONE SYNTHASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-29 EP disclosed
WO-2012012478-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-26 WO disclosed
WO-2012012478-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-26 WO disclosed