SCHEMBL161096

SCHEMBL161096

COc1[c]cc(F)cc1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL27619818 0.92 NFE2L2 (0.31)
SCHEMBL27342664 0.83 NPC1 (0.37)
SCHEMBL27624257 0.77 PTPN1 (0.35)
SCHEMBL932999 0.77
SCHEMBL1993243 0.76
SCHEMBL264478 0.76 L3MBTL1 (0.38)
SCHEMBL933000 0.76 SQOR (0.32)
SCHEMBL263445 0.74 SMN1; SMN2 (0.36)
SCHEMBL105204 0.73 CA1 (0.48)
SCHEMBL160506 0.73

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 1487 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
US-20240000767-A1 COMBINATION OF AN ALPHA2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONIST WITH A TASK1/3 CHANNEL BLOCKER FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2024-01-04 US claimed
CN-113773242-B Indol-2-one BRD4 inhibitor and preparation and application thereof 兰州大学 2023-10-27 CN claimed
US-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-10-26 US claimed
WO-2023118098-A1 COMBINATION OF AN α2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS WITH A MUSCARINIC RECEPTOR ANTAGONIST FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 WO claimed
WO-2023118123-A1 COMBINATION OF AN Α2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONIST WITH A NOREPINEPHRINE REUPTAKE INHIBITOR FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 WO claimed
CN-116348453-A Heteroaromatic carboxamide compounds and uses thereof 烨辉医药科技(上海)有限公司 2023-06-27 CN claimed
EP-3720858-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-06-07 EP claimed
EP-4175954-A1 COMBINATION OF AN ALPHA2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONIST WITH A TASK1/3 CHANNEL BLOCKER FOR THE TREATMENT OF SLEEP APNEA Bayer Aktiengesellschaft (DE) 2023-05-10 EP claimed
CN-116057057-A Conjugates of alpha 2-adrenoceptor subtype C (alpha-2C) antagonists and TASK1/3 channel blockers for the treatment of sleep apnea 拜耳公司 2023-05-02 CN claimed
EP-1189904-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES Bristol-Myers Squibb Pharma Company (US) 2002-03-27 EP claimed
EP-1189905-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES Bristol-Myers Squibb Pharma Company (US) 2002-03-27 EP claimed
WO-2001090090-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2001-11-29 WO claimed
WO-2000077010-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 WO claimed
WO-2000077001-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 WO claimed
WO-2000077002-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 WO claimed
WO-2000015606-A1 SUBSTITUTED N-ARYL-O-ALKYL-CARBAMATES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-23 WO claimed
WO-1997005110-A1 PERHYDROISOINDOLE DERIVATIVES AS SUBSTANCE P AND NEUROKININE A ANTAGONISTS RHONE-POULENC RORER S.A. (FR) 1997-02-13 WO claimed
EP-0091193-B1 ANTIDIABETIC COMPOSITIONS PFIZER INC. (US) 1986-05-21 EP claimed
EP-0091193-A2 Antidiabetic compositions PFIZER INC. (US) 1983-10-12 EP claimed