SCHEMBL5778167

SCHEMBL5778167

CCC1CNCc2ccc(OC)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.49
HTR2B P41595 5/20 0.49
HTR2A P28223 4/20 0.49
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
PLAT P00750 1/20 0.45
KLKB1 P03952 1/20 0.45
PRSS1 P07477 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
ADRB2 P07550 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
SLC6A2 P23975 1/20 0.44
HRH1 P35367 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR5A P47898 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL3873820 0.88 HTR2C (0.48) HTR2CHTR2BHTR2A
SCHEMBL30932903 0.87 HTR2A (0.48) HTR2CHTR2BHTR2ASIGMAR1MTNR1A
SCHEMBL5182350 0.79 MTNR1A (0.68) HTR2CMTNR1ANQO2MTNR1B
SCHEMBL16624059 0.78 HTR2C (0.51) HTR2CHTR2BHTR2ASIGMAR1ADRB2
Hydrochloric Acid SCHEMBL5433304 0.78 MTNR1A (0.67) HTR2CMTNR1ANQO2MTNR1B
SCHEMBL5179958 0.78 MTNR1A (0.71) MTNR1ANQO2MTNR1B
Hydrochloric Acid SCHEMBL5420735 0.77 MTNR1A (0.69) MTNR1ANQO2MTNR1B
SCHEMBL5181902 0.77 MTNR1A (0.69) HTR2CMTNR1ANQO2MTNR1B
Hydrochloric Acid SCHEMBL17965621 0.77 HTR2C (0.50) HTR2CHTR2BHTR2ASIGMAR1
SCHEMBL11647146 0.76 MTNR1A (0.62) HTR2CHTR2BSIGMAR1ADRB2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1276722-B1 NAPHTHAMIDINE UROKINASE INHIBITORS ABBOTT LAB (US) 2006-03-08 EP disclosed
EP-1276722-A1 NAPHTHAMIDINE UROKINASE INHIBITORS Abbott Laboratories (US) 2003-01-22 EP disclosed
US-6504031-B1 Enzyme inhibitor such as 6-(2-(1-isopropyl-1,2,3,4-tetrahydro -7-isoquinolinyl)ethenyl)-2-naphthalenecarboximidamide, used as angiogenesis inhibitors; antiarthritic, antiinflammatory and antitumor agents ABBOTT LABORATORIES 2003-01-07 US disclosed
US-6495562-B1 SUCH AS 6-(2-(4,4-DIETHYL-1-ISOPROPYL-3,4-DIHYDRO-6-ISOQUINOLINYL)CYCLOPROPYL)-2 -NAPHTHALENECARBOXIMIDAMIDE ABBOTT LABORATORIES 2002-12-17 US disclosed
WO-2001081314-A1 NAPHTHAMIDINE UROKINASE INHIBITORS ABBOTT LABORATORIES (US) 2001-11-01 WO disclosed