SCHEMBL7473419

SCHEMBL7473419

Cc1cc2c(cc1C(F)(F)F)N(C(=O)N(Oc1cccnc1C)c1cccnc1)CC2

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.59
HTR2A P28223 19/20 0.59
HTR2B P41595 18/20 0.59
CYP2C9 P11712 1/20 0.58
HTR6 P50406 1/20 0.58
CYP1A2 P05177 2/20 0.48

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
SCHEMBL7376883 0.90 HTR2C (0.60) HTR2CHTR2AHTR2BCYP2C9HTR6
SCHEMBL8129227 0.80 HTR2C (0.64) HTR2CHTR2AHTR2BCYP2C9CYP1A2
SCHEMBL7085815 0.77 HTR2C (0.62) HTR2CHTR2AHTR2BCYP2C9CYP1A2
SCHEMBL7374660 0.74 HTR2C (0.65) HTR2CHTR2AHTR2BCYP2C9CYP1A2
SCHEMBL8113401 0.74 HTR2C (0.58) HTR2CHTR2AHTR2BCYP2C9CYP1A2
SCHEMBL7566491 0.74 HTR2C (0.58) HTR2CHTR2AHTR2BCYP2C9HTR6
SCHEMBL7078076 0.74 HTR2C (0.64) HTR2CHTR2AHTR2BCYP2C9CYP1A2
Sb-243213 SCHEMBL677610 0.73 HTR2C (1.00) HTR2CHTR2AHTR2BCYP2C9HTR6
Sb-243213 SCHEMBL31060820 0.73 HTR2C (1.00) HTR2CHTR2AHTR2BCYP2C9HTR6
Sb-243213 SCHEMBL29697170 0.73 HTR2C (1.00) HTR2CHTR2AHTR2BCYP2C9HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912554-B1 INDOLINE DERIVATIVES USEFUL AS 5-HT-2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2002-11-27 EP disclosed
US-6369060-B1 CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS ANXIETY; 5-METHYL-6-TRIFLUOROMETHYL-1-(6-(2-METHYLPYRIDIN-3-YLOXY)-PYRIDIN-3-YL CARBAMOYL)INDOLINE AND 5-METHYL-1-(6-(2-METHYLPYRIDIN-3-YLOXY) -PYRIDAZIN-3-YLCARBAMOYL)-6-TRIFLUOROMETHYLINDOLINE SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-09 US disclosed