SCHEMBL3665544

SCHEMBL3665544

O=C(NC1CCN(C(=O)c2ccnc(I)c2)C1)c1cc2cc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)ccc2o1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.39
PRKAA2 P54646 4/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A5 Q9Y345 6/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ADRB2 P07550 1/20 0.36
LCK P06239 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36

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
SCHEMBL3663244 0.96 PRKAA2 (0.43) SCN9APRKAA2SLC6A4SLC6A5ADRB2
SCHEMBL647133 0.92 SLC6A4 (0.41) SCN9APRKAA2SLC6A4ADRB2
SCHEMBL647134 0.92 SLC6A4 (0.41) SCN9APRKAA2SLC6A4ADRB2
SCHEMBL3666576 0.91 PRKAA2 (0.43) SCN9APRKAA2SLC6A4SLC6A5ADRB2
SCHEMBL648611 0.88 PRKAA2 (0.43) SCN9APRKAA2SLC6A4SLC6A5ADRB2
SCHEMBL3659838 0.87 SLC6A4 (0.43) SCN9APRKAA2SLC6A4UTS2R
SCHEMBL649433 0.84 HDAC4 (0.46) SCN9ASLC6A4
SCHEMBL649869 0.84 HDAC4 (0.46) SCN9ASLC6A4
SCHEMBL4405724 0.84 PRKAA2 (0.40) PRKAA2MEN1KMT2AUTS2R
SCHEMBL648854 0.83 PRKAA2 (0.44) PRKAA2SLC6A4SLC6A5ADRB2

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-2231600-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2010-09-29 EP claimed
WO-2009065131-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-22 WO claimed