SCHEMBL11069253

SCHEMBL11069253

Clc1ccc2[nH]cc(CCNCc3ccccc3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SNCA P37840 7/20 0.71
HTR2A P28223 5/20 0.68
MPO P05164 1/20 0.62
SLC6A4 P31645 1/20 0.62
HTR1A P08908 1/20 0.56
HTR6 P50406 1/20 0.56
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
MC5R P33032 2/20 0.56
MC3R P41968 2/20 0.56
MC1R Q01726 2/20 0.56
TRPM8 Q7Z2W7 1/20 0.56

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
SCHEMBL5947200 0.88 SNCA (0.64) SNCAHTR2AMPOSLC6A4MC5R
SCHEMBL2405136 0.84 MPO (0.86) HTR2AMPOSLC6A4HTR1AHTR6
SCHEMBL25076892 0.84 HTR2A (0.68) HTR2AMPOSLC6A4HTR6
SCHEMBL17117861 0.84 MC5R (0.71) HTR2AHTR6MC5RMC3RMC1R
SCHEMBL9938768 0.83 SNCA (1.00) SNCA
SCHEMBL830201 0.83 MC5R (0.79) HTR2AHTR1AHTR6MC5RMC3R
SCHEMBL5947659 0.82 KMT2A (0.61) SNCAHTR2AHTR1AHTR6
Hydrochloric Acid SCHEMBL11188453 0.82 MC5R (0.77) HTR2AHTR1AHTR6MC5RMC3R
SCHEMBL9938328 0.82 SNCA (1.00) SNCA
SCHEMBL948317 0.81 HTR2A (1.00) HTR2A

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
US-4425351-A ANTIANOXIC SYNTHELABO (FR) 1984-01-10 US disclosed