SCHEMBL8599014

SCHEMBL8599014

COc1ccc2c(c1)-c1c(ccn1CC(C)N)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 18/20 1.00
HTR2A P28223 14/20 1.00
HTR2B P41595 1/20 0.40
METAP1 P53582 1/20 0.39

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
SCHEMBL8595714 1.00 HTR2C (1.00) HTR2CHTR2AHTR2BMETAP1
SCHEMBL8595428 1.00 HTR2C (1.00) HTR2CHTR2AHTR2BMETAP1
SCHEMBL8598052 0.92 HTR2C (1.00) HTR2CHTR2AHTR2BMETAP1
SCHEMBL8598048 0.92 HTR2C (1.00) HTR2CHTR2AHTR2BMETAP1
Fumaric Acid SCHEMBL8874759 0.90 HTR2C (0.81) HTR2CHTR2AMETAP1
Fumaric Acid SCHEMBL8874755 0.90 HTR2C (0.81) HTR2CHTR2AMETAP1
Fumaric Acid SCHEMBL8875709 0.90 HTR2C (0.81) HTR2CHTR2AMETAP1
Fumaric Acid SCHEMBL8873435 0.90 HTR2C (0.81) HTR2CHTR2AMETAP1
Fumaric Acid SCHEMBL8875714 0.90 HTR2C (0.81) HTR2CHTR2AMETAP1
Fumaric Acid SCHEMBL8873443 0.90 HTR2C (0.81) HTR2CHTR2AMETAP1

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-7172867-B2 Methods of testing for allergic diseases, and therapeutic agents for treating same GENOX RESEARCH, INC. (JP) 2007-02-06 US disclosed
US-7172867-B2 Methods of testing for allergic diseases, and therapeutic agents for treating same GENOX RESEARCH, INC. (JP) 2007-02-06 US disclosed
EP-0657426-B1 Tricyclic pyrrole derivatives HOFFMANN LA ROCHE (CH) 1998-07-22 EP disclosed
EP-0657426-A2 Tricyclic pyrrole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1995-06-14 EP disclosed