SCHEMBL7365939

SCHEMBL7365939

COc1ccc2c(c1)nc(OCC1CCN(Cc3ccccc3)CC1)c1cccn12

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
HTR1A P08908 1/20 0.54
HTR3A P46098 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50

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
SCHEMBL7370137 0.89 HTR2C (0.63) HTR1AHTR3AHTR2AHTR2CHTR2B
SCHEMBL7362880 0.85 HTR2C (0.66) HTR1AHTR3AHTR2AHTR2CHTR2B
SCHEMBL7362654 0.85 HTR2A (0.50) HTR1AHTR2AHTR2CHTR2B
SCHEMBL8565073 0.79 HTR3E (0.83) HTR3EHTR3BHTR1AHTR3AHTR3D
SCHEMBL7369399 0.78 HTR2C (0.64) HTR1AHTR3AHTR2AHTR2CHTR2B
SCHEMBL7400843 0.75 HTR2C (0.62) HTR1AHTR3AHTR2AHTR2CHTR2B
SCHEMBL7365853 0.74 HTR4 (0.65) HTR1AHTR3AHTR2AHTR2CHTR2B
SCHEMBL7370424 0.74 HTR3E (0.56) HTR3EHTR3BHTR1AHTR3AHTR3D
SCHEMBL7398403 0.74 HTR1A (0.52) HTR3EHTR3BHTR1AHTR3AHTR3D
SCHEMBL7368923 0.74 HTR2A (0.49) HTR1AHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001014381-A1 ETHER DERIVATIVES OF PYRROLO[1,2-A]QUINOXALINES, METHOD FOR PRODUCING THEM AND THEIR USE IN THERAPY UNIVERSITE DE CAEN BASSE-NORMANDIE (FR) 2001-03-01 WO disclosed