SCHEMBL5780916

SCHEMBL5780916

C[C@H]1CN(c2ccc(C(F)(F)F)c(SCC3(Cl)C=CC=CC3)n2)CCN1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.39
ADRB2 P07550 1/20 0.35
PRKCQ Q04759 5/20 0.33
PRKCD Q05655 3/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
FLT3 P36888 1/20 0.33
PRKCE Q02156 1/20 0.33
ACVR1 Q04771 1/20 0.31
CSNK1E P49674 2/20 0.31
LCK P06239 1/20 0.31
SRC P12931 1/20 0.31

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
SCHEMBL5585680 0.80 HTR2C (0.45) HTR2CADRB2PRKCQPRKCDPRKCB
SCHEMBL5585944 0.80 HTR2C (0.45) HTR2CADRB2PRKCQPRKCDPRKCB
SCHEMBL5585677 0.80 HTR2C (0.45) HTR2CADRB2PRKCQPRKCDPRKCB
Acetic Acid SCHEMBL6183906 0.75 PRKCQ (0.41) HTR2CADRB2PRKCQPRKCDPRKCB
SCHEMBL5585951 0.75 HTR6 (0.40) HTR2CADRB2PRKCQPRKCDPRKCB
SCHEMBL5585948 0.75 HTR6 (0.40) HTR2CADRB2PRKCQPRKCDPRKCB
SCHEMBL5585785 0.72 ADRB2 (0.65) HTR2CADRB2PRKCQPRKCDPRKCB
SCHEMBL5585596 0.72 ADRB2 (0.65) HTR2CADRB2PRKCQPRKCDPRKCB
SCHEMBL5585598 0.72 ADRB2 (0.65) HTR2CADRB2PRKCQPRKCDPRKCB
SCHEMBL5780913 0.72 HTR2C (0.41) HTR2CADRB2PRKCQPRKCDPRKCB

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
EP-1506185-B1 COMPOUNDS AND THEIR USE AS INHIBITORS OF 5-HT BIOVITRUM AB (SE) 2006-05-24 EP disclosed