SCHEMBL7066218

SCHEMBL7066218

O=C(CBr)NN1CCC(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
SLC18A3 Q16572 2/20 0.46
PRCP P42785 3/20 0.45
DRD2 P14416 2/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
USP5 P45974 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
MMP3 P08254 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 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
SCHEMBL15492542 0.80 SLC18A3 (0.51) SIGMAR1SLC18A3PRCPDRD2NPC1
SCHEMBL27640069 0.80 CA12 (0.49) SIGMAR1SLC18A3MMP2MMP13NPC1
SCHEMBL6574730 0.78 SLC18A3 (0.50) SIGMAR1SLC18A3PRCPDRD2NPC1
SCHEMBL27582497 0.78 KCNH2 (0.45) SIGMAR1SLC18A3MMP2MMP13NPC1
SCHEMBL9042120 0.76 ALDH1A1 (0.57) SIGMAR1SLC18A3NPC1TP53RAB9A
SCHEMBL10305548 0.76 KCNH2 (0.52) SLC18A3PRCPDRD2KCNH2HRH3
SCHEMBL13261229 0.73 SLC18A3 (0.43) SIGMAR1SLC18A3DRD2SMN1; SMN2ALDH1A1
SCHEMBL6574220 0.72 SLC18A3 (0.51) SIGMAR1SLC18A3TP53ALDH1A1POLB
SCHEMBL420261 0.71 SLC18A3 (0.43) SIGMAR1SLC18A3MMP2MMP13NPC1
SCHEMBL3192791 0.71 RAB9A (0.51) SLC18A3NPC1TP53RAB9ASMN1; 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-2004058727-A1 SUBSTITUTED 3,5-DIHYDRO-4H-IMIDAZOL-4-ONES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2004-07-15 WO disclosed