SCHEMBL174399

SCHEMBL174399

CC(C)n1cccn1

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
Bromide SCHEMBL27878723 0.97
SCHEMBL5713342 0.83 NOS1 (0.34)
SCHEMBL6022879 0.81
SCHEMBL3477581 0.79
SCHEMBL508211 0.79
SCHEMBL23666770 0.79
SCHEMBL11152177 0.79
SCHEMBL6017694 0.79
SCHEMBL25845213 0.79
SCHEMBL9963226 0.79 NOS1 (0.32)

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 1985 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250368635-A1 HETEROARYL DERIVATIVE COMPOUND, AND USES THEREOF VORONOI, INC. (KR) 2025-12-04 US claimed
CN-118812508-A 1-Isopropyl-1H-pyrazole compound, pharmaceutical composition and application 原研药港生命科学研究(辽宁)有限公司 2024-10-22 CN claimed
WO-2024207777-A1 1-ISOPROPYL-1H-PYRAZOLE COMPOUND, PHARMACEUTICAL COMPOSITION AND USE 原研药港生命科学研究(辽宁)有限公司 2024-10-10 WO claimed
US-20240254103-A9 NOVEL PYRIMIDINE DERIVATIVE, AND COMPOSITION FOR PREVENTING OR TREATING NEURODEGENERATIVE DISEASES AND CANCER, COMPRISING SAME WHAN IN PHARMACEUTICAL CO., LTD. (KR) 2024-08-01 US claimed
US-20230219930-A1 NOVEL PYRIMIDINE DERIVATIVE, AND COMPOSITION FOR PREVENTING OR TREATING NEURODEGENERATIVE DISEASES AND CANCER, COMPRISING SAME WHAN IN PHARMACEUTICAL CO., LTD. (KR) 2023-07-13 US claimed
US-20230027361-A1 METTL3 MODULATORS ACCENT THERAPEUTICS, INC. (US) 2023-01-26 US claimed
CN-115298179-A METTL3 modulators 埃克森特治疗公司 2022-11-04 CN claimed
WO-2021079196-A9 METTL3 MODULATORS ACCENT THERAPEUTICS, INC (US) 2022-07-14 WO claimed
CN-109456200-B Preparation method of m-xylylenediamine 万华化学集团股份有限公司 2021-07-23 CN claimed
WO-2021079196-A2 METTL3 MODULATORS ACCENT THERAPEUTICS, INC (US) 2021-04-29 WO claimed
US-20140315959-A1 TREATMENT OF OVARIAN CANCER WITH BENZYLIDENEBENZOHYDRAZIDES MEMORIAL SLOAN-KETTERING CANCER CENTER 2014-10-23 US claimed
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US claimed
EP-2776029-A1 TREATMENT OF OVARIAN CANCER WITH BENZYLIDENEBENZOHYDRAZIDES Memorial Sloan-Kettering Cancer Center (US) 2014-09-17 EP claimed
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP claimed
WO-2013071001-A1 TREATMENT OF OVARIAN CANCER WITH BENZYLIDENEBENZOHYDRAZIDES MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2013-05-16 WO claimed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO claimed
WO-2010142493-A2 AFTERTREATMENT FOR COLOR FIXATION HENKEL AG & CO. KGAA (DE) 2010-12-16 WO claimed
US-RE33907-E Anti-spasmodic agents having a heterocyclic ring UNITED PHARMACEUTICALS, INC. (US) 1992-04-28 US claimed
US-4857535-A THIOESTERS UNITED PHARMACEUTICALS (US) 1989-08-15 US claimed
US-4721783-A SMOOTH MUSCLES UNITED PHARMACEUTICALS, INC. (US) 1988-01-26 US claimed