SCHEMBL7993369

SCHEMBL7993369

CCC1Cc2ccccc2N1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.54
DRD4 P21917 3/20 0.54
NOTUM Q6P988 1/20 0.51
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP2D6 P10635 1/20 0.47
ACE P12821 3/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL9204053 0.87 NOTUM (0.64) DRD2DRD4NOTUMALDH1A1NPC1
SCHEMBL4289075 0.85 DRD2 (0.53) DRD2DRD4NOTUMALDH1A1NPC1
SCHEMBL30681441 0.85 DRD2 (0.53) DRD2DRD4NOTUMALDH1A1NPC1
SCHEMBL7554164 0.85 DRD2 (0.53) DRD2DRD4NOTUMALDH1A1NPC1
SCHEMBL8018491 0.84 MTNR1A (0.51) ACE
SCHEMBL5556232 0.84 PKM (0.51) NOTUMALDH1A1NPC1CYP1A2CYP2C19
SCHEMBL30681525 0.83 NOTUM (0.48) NOTUMALDH1A1NPC1CYP1A2CYP2C19
SCHEMBL18701883 0.83 DRD2 (0.51) DRD2DRD4NOTUMALDH1A1NPC1
SCHEMBL4386325 0.80 NOTUM (0.44) NOTUMALDH1A1NPC1CYP1A2CYP2C19
SCHEMBL4436739 0.79 NOTUM (0.43) DRD2DRD4NOTUMACE

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-6281240-B1 CYSTIC FIBROSIS ELI LILLY AND COMPANY 2001-08-28 US disclosed
WO-1998044799-A1 DIARYLSULFONYLUREAS FOR USE IN TREATING SECRETORY DIARRHEA ELI LILLY AND COMPANY (US) 1998-10-15 WO disclosed
EP-0606723-A1 Imidazolidin-2-one derivatives and their use as antitumor agents ELI LILLY AND COMPANY (US) 1994-07-20 EP disclosed
US-5270329-A 1-arylsulfonyl-imidazolidin-2-one derivatives ELI LILLY AND COMPANY (US) 1993-12-14 US disclosed