SCHEMBL6978725

SCHEMBL6978725

Nc1ccc(CCC2CNCCO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.44
MAOB P27338 3/20 0.43
MAOA P21397 2/20 0.43
SLC6A2 P23975 9/20 0.40
SLC6A3 Q01959 7/20 0.40
SLC6A4 P31645 5/20 0.40
ADRB2 P07550 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD4 P21917 4/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL8924483 0.85 DRD4 (0.51) SLC6A2SLC6A3SLC6A4ADRB2HTR1A
SCHEMBL78044 0.85 DRD4 (0.51) SLC6A2SLC6A3SLC6A4ADRB2HTR1A
SCHEMBL27658505 0.84 DRD2 (0.51) SLC6A2SLC6A3SLC6A4ADRB2HTR1A
SCHEMBL21254392 0.84 DRD4 (0.52) SLC6A2SLC6A3SLC6A4DRD4CYP1A2
SCHEMBL18689815 0.84 HRH1 (0.43) SLC6A2SLC6A3SLC6A4ADRB2HTR1A
SCHEMBL7497207 0.84 DRD4 (0.51) SLC6A2SLC6A3SLC6A4ADRB2HTR1A
SCHEMBL372608 0.84 SLC6A2 (0.41) GFERSLC6A2SLC6A3SLC6A4ADRB2
Water SCHEMBL27973306 0.83 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4ADRB2HTR1A
SCHEMBL21254378 0.82 HRH3 (0.44) MAOBMAOASLC6A2SLC6A3SLC6A4
SCHEMBL27497060 0.81 SLC6A2 (0.40) SLC6A2SLC6A3SLC6A4ADRB2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100338036-C Substituted indolinones with inhibitory effect on kinase and cyclin complexes BOEHRINGER INGELHEIM PHARMA (DE) 2007-09-19 CN disclosed
EP-1071665-B1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-10-01 EP disclosed
CN-1303374-A Substituted indolinones, process for their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA (DE) 2001-07-11 CN disclosed
EP-1071665-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-01-31 EP disclosed
US-6169106-B1 ANTITUMOUR AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-01-02 US disclosed
WO-1999052869-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-21 WO disclosed