SCHEMBL4441003

SCHEMBL4441003

O=C(NC1CCN(Cc2ccncc2)C(I)C1)c1cccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.43
F10 P00742 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
KCNH2 Q12809 1/20 0.42
DRD2 P14416 2/20 0.41
HTR2A P28223 1/20 0.41
SLC6A5 Q9Y345 3/20 0.40
SCN9A Q15858 1/20 0.40
KMT2A Q03164 1/20 0.40
AR P10275 1/20 0.39
RAB9A P51151 2/20 0.39
GRM5 P41594 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
SCHEMBL3666588 0.91 SSTR5 (0.42) DRD4F10DRD2SLC6A5AR
SCHEMBL4430744 0.90 PRKAA2 (0.46) F10OPRM1OPRK1KCNH2AR
SCHEMBL3664555 0.88 MEN1 (0.40) DRD4F10DRD2HTR2ASLC6A5
SCHEMBL3660163 0.88 F10 (0.39) DRD4F10OPRK1KCNH2SLC6A5
SCHEMBL2388500 0.88 DRD4 (0.57) DRD4OPRK1KCNH2DRD2HTR2A
SCHEMBL3667429 0.86 SLC6A4 (0.40) DRD4F10SLC6A5AR
SCHEMBL3665414 0.86 SLC6A5 (0.50) DRD4OPRM1OPRK1KCNH2DRD2
SCHEMBL3661407 0.85 SLC6A5 (0.42) DRD4DRD2SLC6A5KMT2A
SCHEMBL3662737 0.85 MDM2 (0.41) DRD4F10DRD2SLC6A5
SCHEMBL3663620 0.85 UTS2R (0.41) DRD4F10SLC6A5

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-2079694-A1 N-SUBSTITUTED-HETEROCYCLOALKYLOXYBENZAMIDE COMPOUNDS AND METHODS OF USE Rigel Pharmaceuticals, Inc. (US) 2009-07-22 EP claimed
WO-2008083124-A1 N-SUBSTITUTED-HETEROCYCLOALKYLOXYBENZAMIDE COMPOUNDS AND METHODS OF USE RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 WO claimed