SCHEMBL788797

SCHEMBL788797

[c]1nnncc1-c1nccnn1

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
SCHEMBL20239658 0.82 KDM4E (0.32)
SCHEMBL5553224 0.68
SCHEMBL29522058 0.68
SCHEMBL969567 0.65
SCHEMBL4721988 0.63 ALDH1A1 (0.35)
SCHEMBL21315699 0.61 L3MBTL1 (0.33)
SCHEMBL3391309 0.61 TP53 (0.64)
SCHEMBL19435586 0.60 CLK4 (0.38)
SCHEMBL30186716 0.60 NPC1 (0.52)
SCHEMBL6484311 0.60 NPC1 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115703802-A Boron-containing organic compound and application thereof 北京鼎材科技有限公司 2023-02-17 CN disclosed
WO-2012037258-A1 PROCESSES FOR PREPARING 1,2-SUBSTITUTED CYCLOPROPYL DERIVATIVES ABBOTT LABORATORIES (US) 2012-03-22 WO disclosed
US-20040266764-A1 Hydroxamic acid derivatives HANNAH DUNCAN ROBERT 2004-12-30 US disclosed
US-20040157834-A1 Somatostatin antagonists and agonists that act at the SST subtype 2 receptor PFIZER INC 2004-08-12 US disclosed
US-6720330-B2 INCREASING SECRETION OF GROWTH HORMONE, GASTRIN, OR GLUCAGON IN A MAMMAL; INHIBITING THE BINDING OF SOMATOSTATIN TO AN SST2 RECEPTOR PFIZER INC. 2004-04-13 US disclosed
US-20020091090-A1 Somatostatin antagonists and agonists COLE BRIDGET M (US) 2002-07-11 US disclosed
US-20020091125-A1 Somatostatin antagonists and agonists that act at the SST subtype 2 receptor HAY BRUCE A (US) 2002-07-11 US disclosed