SCHEMBL475602

SCHEMBL475602

CC(Nc1cc(N2CCNCC2)ccc1C(=O)C(F)(F)F)c1cc(Cl)cc(Cl)c1.COc1ccc(Cl)cc1C(C)Nc1cc(N2CCNCC2)ccc1S(C)(=O)=O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.63
DDR1 Q08345 3/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACLY P53396 1/20 0.34
CNR1 P21554 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
SOS1 Q07889 2/20 0.34
ALK Q9UM73 1/20 0.34
KCNT1 Q5JUK3 2/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL475383 0.86 HTR6 (0.80) HTR6HPGDSMN1; SMN2ACLYHTR3E
Hydrochloric Acid SCHEMBL1748287 0.85 HTR6 (0.79) HTR6HPGDSMN1; SMN2HTR3EHTR3B
SCHEMBL475388 0.83 HPGD (0.46) HTR6HPGDSMN1; SMN2ACLYCNR1
Hydrochloric Acid SCHEMBL1748277 0.82 HPGD (0.46) HTR6HPGDSMN1; SMN2ACLYCNR1
SCHEMBL1747990 0.80 HTR6 (0.68) HTR6HPGDSMN1; SMN2CNR1HTR3E
Hydrochloric Acid SCHEMBL1748809 0.79 HTR6 (0.67) HTR6HPGDSMN1; SMN2CNR1HTR3E
SCHEMBL5021125 0.78 HTR6 (0.78) HTR6HPGDSMN1; SMN2ACLYSOS1
SCHEMBL475397 0.78 HTR6 (1.00) HTR6HPGDSMN1; SMN2ACLYSOS1
SCHEMBL1748904 0.78 HTR6 (1.00) HTR6HPGDSMN1; SMN2ACLYSOS1
SCHEMBL1748316 0.78 HTR6 (1.00) HTR6HPGDSMN1; SMN2ACLYSOS1

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-2037925-B1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS GALENEA CORP (US) 2012-02-01 EP disclosed