SCHEMBL2045385

SCHEMBL2045385

Cc1cnc(CCl)s1

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
SCHEMBL13142433 0.80 NOS1 (0.48)
SCHEMBL13077508 0.76
SCHEMBL2643005 0.76
SCHEMBL4190147 0.76
SCHEMBL8572782 0.76
SCHEMBL14448810 0.76
SCHEMBL2644581 0.76
SCHEMBL1366842 0.76
SCHEMBL7894770 0.74
SCHEMBL2629266 0.74 SLC6A3 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4673137-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME Sionna Therapeutics Inc. (US) 2026-01-07 EP disclosed
US-20250034143-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2025-01-30 US disclosed
US-20250034170-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2025-01-30 US disclosed
US-20240368133-A1 Compounds for the Treatment of Pain, in Particular, Neuropathic Pain, and/or Other Diseases or Disorders that are Associated with AT2R and/or AT2R Mediated Signaling CONFO THERAPEUTICS N.V. (BE) 2024-11-07 US disclosed
WO-2024182736-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME SIONNA THERAPEUTICS INC. (US) 2024-09-06 WO disclosed
EP-4415706-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-08-21 EP disclosed
CN-118159530-A Compounds for the treatment of pain, in particular neuropathic pain and/or other diseases or disorders associated with AT2R and/or AT2R mediated signalling 康福治疗有限公司 2024-06-07 CN disclosed
EP-4377307-A1 COMPOUNDS FOR THE TREATMENT OF PAIN, IN PARTICULAR NEUROPATHIC PAIN, AND/OR OTHER DISEASES OR DISORDERS THAT ARE ASSOCIATED WITH AT2R AND/OR AT2R MEDIATED SIGNALING Confo Therapeutics N.V. (BE) 2024-06-05 EP disclosed
US-11999716-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2024-06-04 US disclosed
WO-2024084447-A2 AZETIDINYL BENZOXAZOLE COMPOUNDS AND THEIR USE AS MER AND AXL INHIBITORS DONG-A ST CO., LTD. (KR) 2024-04-25 WO disclosed
EP-2513119-B1 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4,3-C]ISOQUINOLINE DERIVATIVES TAKEDA GMBH (DE) 2014-06-25 EP disclosed
WO-2013080222-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2013-06-06 WO disclosed
WO-2013080222-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2013-06-06 WO disclosed
US-20120289474-A1 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4,3-c] ISOQUINOLINE DERIVATIVES NYCOMED GMBH (DE) 2012-11-15 US disclosed
EP-2513119-A1 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4, 3-c]ISOQUINOLINE DERIVATIVES Nycomed GmbH (DE) 2012-10-24 EP disclosed
CN-102652136-A 3,4,4a,10b-tetrahydro-1h-thiopyrano-[4, 3-c] isoquinoline derivatives NYCOMED GMBH 2012-08-29 CN disclosed
WO-2012088431-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed
WO-2011073231-A1 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4, 3-c] ISOQUINOLINE DERIVATIVES NYCOMED GMBH (DE) 2011-06-23 WO disclosed
US-4309428-A Maytansinoids TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-01-05 US disclosed
EP-0025496-A1 Maytansinoids, their production and therapeutic compositions containing them Takeda Chemical Industries, Ltd. (JP) 1981-03-25 EP disclosed