SCHEMBL8601747

SCHEMBL8601747

CC(C)Oc1ccc2c(c1)-c1c(ccn1C[C@@H](C)N)C2

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 19/20 0.80
HTR2A P28223 16/20 0.80
EZH2 Q15910 1/20 0.35

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
SCHEMBL8601745 1.00 HTR2C (0.80) HTR2CHTR2AEZH2
Fumaric Acid SCHEMBL8875032 0.91 HTR2C (0.67) HTR2CHTR2AEZH2
Fumaric Acid SCHEMBL8875027 0.91 HTR2C (0.67) HTR2CHTR2AEZH2
SCHEMBL8595714 0.89 HTR2C (1.00) HTR2CHTR2A
SCHEMBL8599014 0.89 HTR2C (1.00) HTR2CHTR2A
SCHEMBL8595428 0.89 HTR2C (1.00) HTR2CHTR2A
SCHEMBL8598846 0.88 HTR2C (0.73) HTR2CHTR2A
SCHEMBL8598849 0.88 HTR2C (0.73) HTR2CHTR2A
SCHEMBL8597566 0.86 HTR2C (0.78) HTR2CHTR2A
SCHEMBL8597562 0.86 HTR2C (0.78) HTR2CHTR2A

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-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