SCHEMBL1748150

SCHEMBL1748150

CC(Nc1cc(N2CCNCC2)ccc1S(C)(=O)=O)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.56
CNR1 P21554 1/20 0.44
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
ABHD6 Q9BV23 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ADRB1 P08588 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR1D P28221 1/20 0.39
HTR2C P28335 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL20242670 0.81 HTR6 (0.57) HTR6HPGDSMN1; SMN2MAPT
SCHEMBL475664 0.81 HPGD (0.65) HTR6CNR1HPGDSMN1; SMN2MAPT
SCHEMBL5021118 0.80 HTR6 (0.53) HTR6CNR1HPGDSMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL1747995 0.80 HPGD (0.64) HTR6CNR1HPGDSMN1; SMN2MAPT
SCHEMBL12528587 0.79 HTR6 (0.58) HTR6CNR1HPGDSMN1; SMN2MAPT
SCHEMBL1747990 0.79 HTR6 (0.68) HTR6CNR1HPGDSMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL1748809 0.78 HTR6 (0.67) HTR6CNR1HPGDSMN1; SMN2MAPT
SCHEMBL20242549 0.78 HTR6 (0.53) HTR6HPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL1748852 0.77 HTR6 (0.64) HTR6CNR1HPGDSMN1; SMN2ADRB1
SCHEMBL5021159 0.77 HTR6 (0.58) HTR6CNR1HPGDSMN1; SMN2MAPT

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-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US claimed