SCHEMBL2650583

SCHEMBL2650583

Cc1cccc(C2CNCCN2NC(=O)O)c1C

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 15/20 0.41
ADRB1 P08588 1/20 0.41
HTR2B P41595 13/20 0.40
HTR2A P28223 10/20 0.40

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
SCHEMBL6015072 0.78 HTR2C (0.43) HTR2CADRB1HTR2BHTR2A
SCHEMBL5228097 0.76 HTR2C (0.40) HTR2CADRB1HTR2BHTR2A
SCHEMBL434850 0.72 HTR2C (0.44) HTR2CADRB1HTR2BHTR2A
SCHEMBL2649431 0.72 HTR2C (0.41) HTR2CADRB1
SCHEMBL18284815 0.70 TAAR1 (0.44) HTR2CHTR2BHTR2A
SCHEMBL20677321 0.68 DPP4 (0.30)
SCHEMBL15824978 0.67 TAAR1 (0.43) HTR2CHTR2BHTR2A
SCHEMBL28587092 0.64 HTR2C (0.52) HTR2CHTR2BHTR2A
SCHEMBL18284660 0.64 TACR1 (0.48) HTR2CHTR2BHTR2A
SCHEMBL26530980 0.64 HTR2C (0.80) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 EP disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed