SCHEMBL6323123

SCHEMBL6323123

CCCCN(Cc1nc2ccccc2n1Cc1ccccc1CN1CCCCC1)C(=O)c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 4/20 0.44
▸ AGTR2 P50052 4/20 0.44
▸ TP53 P04637 3/20 0.40
▸ POLB P06746 1/20 0.39

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
SCHEMBL6321391 0.91 AGTR1 (0.50) AGTR1AGTR2TP53POLB
SCHEMBL6321104 0.89 AGTR1 (0.49) AGTR1AGTR2TP53POLB
SCHEMBL6322945 0.88 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL6321473 0.88 AGTR1 (0.41) AGTR1AGTR2TP53
SCHEMBL6322287 0.87 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL6327652 0.87 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL6320084 0.87 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL6319209 0.86 AGTR1 (0.46) AGTR1AGTR2POLB
SCHEMBL6327521 0.86 HIF1A (0.49) AGTR1AGTR2TP53
SCHEMBL6321807 0.86 MEN1 (0.43) AGTR1AGTR2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6906075-B2 Melanin concentrating hormone receptor ligands: substituted benzoimidazole analogues NEUROGEN CORP. (US) 2005-06-14 — — US claimed
EP-1465888-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED BENZOIMIDAZOLE ANALOGUES NEUROGEN CORPORATION (US) 2004-10-13 — — EP claimed
WO-2003059289-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED BENZOIMIDAZOLE ANALOGUES NEUROGEN CORPORATION (US) 2003-07-24 — — WO claimed
US-6906075-B2 Melanin concentrating hormone receptor ligands: substituted benzoimidazole analogues NEUROGEN CORP. (US) 2005-06-14 — — US disclosed
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