SCHEMBL1748904

SCHEMBL1748904

COc1cc(Cl)cc([C@@H](C)Nc2cc(N3CCNCC3)ccc2S(C)(=O)=O)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 1.00
ALK Q9UM73 3/20 0.41
TGFBR1 P36897 3/20 0.39
ACVR1B P36896 2/20 0.39
ACVR1 Q04771 2/20 0.39
KCNH2 Q12809 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
HTR2B P41595 1/20 0.39
ACLY P53396 1/20 0.39
EGFR P00533 1/20 0.39
SOS1 Q07889 1/20 0.38

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
SCHEMBL475397 1.00 HTR6 (1.00) HTR6ALKTGFBR1ACVR1BACVR1
SCHEMBL1748316 1.00 HTR6 (1.00) HTR6ALKTGFBR1ACVR1BACVR1
Hydrochloric Acid SCHEMBL475692 0.99 HTR6 (0.98) HTR6ALKTGFBR1ACVR1BACVR1
Hydrochloric Acid SCHEMBL1748258 0.99 HTR6 (0.98) HTR6ALKTGFBR1ACVR1BACVR1
Hydrochloric Acid SCHEMBL1748380 0.99 HTR6 (0.98) HTR6ALKTGFBR1ACVR1BACVR1
Hydrochloric Acid SCHEMBL29391202 0.99 HTR6 (0.98) HTR6ALKTGFBR1ACVR1BACVR1
SCHEMBL5958552 0.95 HTR6 (0.90) HTR6ALKTGFBR1ACVR1BACVR1
SCHEMBL1748393 0.90 HTR6 (0.82) HTR6ALKTGFBR1ACVR1BACVR1
SCHEMBL10077171 0.90 HTR6 (0.82) HTR6ALKTGFBR1ACVR1BACVR1
Hydrochloric Acid SCHEMBL1748224 0.89 HTR6 (0.80) HTR6ALKTGFBR1ACVR1BACVR1

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