SCHEMBL7450604

SCHEMBL7450604

CC(C)CC1CN(c2cccc(S(=O)(=O)C(F)(F)F)c2)CCN1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 9/20 0.42
PRKCD Q05655 9/20 0.42
PRKCA P17252 4/20 0.42
PRKCB P05771 1/20 0.42
FLT3 P36888 1/20 0.42
PRKCE Q02156 1/20 0.42
NR1H2 P55055 7/20 0.42
ADRB1 P08588 3/20 0.40
NR1H3 Q13133 5/20 0.39
HTR6 P50406 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
SCHEMBL7448850 0.91 NR1H2 (0.41) NR1H2ADRB1NR1H3HTR6
SCHEMBL7457394 0.78 HTR6 (0.38) NR1H2NR1H3HTR6
SCHEMBL3454917 0.75 HTR6 (0.65) ADRB1HTR6
Hydrochloric Acid SCHEMBL11370762 0.74 HTR6 (0.63) ADRB1HTR6
SCHEMBL7453354 0.71 ALDH1A1 (0.53)
SCHEMBL4256879 0.70 LMNA (0.47) NR1H2NR1H3HTR6
SCHEMBL17519321 0.70 NR1H2 (0.56) NR1H2ADRB1NR1H3
SCHEMBL2301921 0.70 LMNA (0.64) HTR6
Hydrochloric Acid SCHEMBL28327327 0.70 NR1H2 (0.55) NR1H2ADRB1NR1H3
Hydrochloric Acid SCHEMBL28144205 0.70 NR1H2 (0.55) NR1H2ADRB1NR1H3

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-1240141-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. Carlsson Research AB (SE) 2002-09-18 EP disclosed
WO-2001046144-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2001-06-28 WO disclosed