SCHEMBL3378696

SCHEMBL3378696

COc1ccc(C(=O)Cc2ccc(Br)cc2OC2CNC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.49
HTR6 P50406 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3380982 0.88 SLC6A4 (0.47) SLC6A4HTR6
SCHEMBL3377987 0.81 SLC6A4 (0.46) SLC6A4HTR6
SCHEMBL2288493 0.81 SLC6A4 (0.70) SLC6A4NPC1RAB9A
SCHEMBL8636638 0.72 NPC1 (0.61) NPC1RAB9ASMN1; SMN2
SCHEMBL4970738 0.72 RAB9A (0.50) NPC1RAB9ASMN1; SMN2
SCHEMBL2280108 0.71 SLC6A4 (0.69) SLC6A4HTR6
SCHEMBL2580468 0.71 SLC6A4 (0.64) SLC6A4HTR6
SCHEMBL14862428 0.71 SLC6A4 (0.64) SLC6A4HTR6
SCHEMBL20562112 0.70 NPY1R (0.42)
SCHEMBL27952400 0.70 RAB9A (0.50) NPC1RAB9ASMN1; SMN2

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
WO-2010059393-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-05-27 WO claimed