SCHEMBL7651931

SCHEMBL7651931

CC1N[C]Cc2cc(O)ccc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
DRD2 P14416 3/20 0.36
DRD3 P35462 2/20 0.36
DRD4 P21917 2/20 0.36
ESR1 P03372 6/20 0.35
ESR2 Q92731 4/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
SHBG P04278 1/20 0.35
HTR2A P28223 1/20 0.34
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL31505403 0.71 CHRNB2 (0.44) CHRNB2CHRNA4DRD2DRD3DRD4
SCHEMBL21959060 0.71 MAOA (0.64) DRD2DRD3DRD4
Bromide SCHEMBL31505378 0.70 MAOA (0.65) DRD2DRD3DRD4
Bromide SCHEMBL30645357 0.70 MAOA (0.65) DRD2DRD3DRD4
Bromide SCHEMBL21858250 0.70 MAOA (0.65) DRD2DRD3DRD4
SCHEMBL13799411 0.69 DRD2 (0.50) DRD2DRD3DRD4OPRM1OPRD1
SCHEMBL13049833 0.68 ESR1 (0.53) DRD2DRD3DRD4ESR1ESR2
SCHEMBL8034552 0.68 ESR1 (0.53) DRD2DRD3DRD4ESR1ESR2
SCHEMBL5325492 0.66 CHRNB2 (0.39) CHRNB2CHRNA4ESR1ESR2OPRM1
SCHEMBL28197625 0.66 CHRNB2 (0.39) CHRNB2CHRNA4ESR1ESR2OPRM1

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
US-6482921-B1 Uridyl peptide antibiotic (UPA) derivatives, their synthesis and use ESSENTIAL THERAPEUTICS, INC. 2002-11-19 US claimed
WO-2000044335-A2 URIDYL PEPTIDE ANTIBIOTIC (UPA) DERIVATIVES, THEIR SYNTHESIS AND USE MICROCIDE PHARMACEUTICALS, INC. (US) 2000-08-03 WO claimed