SCHEMBL9136277

SCHEMBL9136277

NC(=O)Cc1ccc(OCCNCCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.66
GAA P10253 1/20 0.66
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
S1PR1 P21453 4/20 0.55
S1PR3 Q99500 2/20 0.55
LTA4H P09960 2/20 0.54
S1PR5 Q9H228 1/20 0.53
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
KCNH2 Q12809 1/20 0.52
OPRM1 P35372 2/20 0.52
OPRD1 P41143 2/20 0.52
OPRK1 P41145 2/20 0.52

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
SCHEMBL8976099 0.88 DRD4 (0.65) GAAKMT2ADRD2DRD4DRD3
SCHEMBL28192546 0.87 CA2 (0.56) GAAOPRM1OPRD1OPRK1
SCHEMBL2846476 0.83 FFAR1 (0.68) S1PR1S1PR3S1PR5
SCHEMBL18798799 0.81 PARP10 (0.64) LTA4H
SCHEMBL10990054 0.81 GAA (1.00) TAAR1GAAMEN1KMT2ADRD2
SCHEMBL5146729 0.81 TAAR1 (0.58) TAAR1KMT2AS1PR1S1PR3S1PR5
SCHEMBL18798890 0.80 FFAR1 (0.60) S1PR1S1PR3DRD2DRD4DRD3
SCHEMBL15228875 0.80 GAA (0.78) TAAR1GAAMEN1KMT2ADRD2
SCHEMBL8976026 0.80 ALOX15 (0.80) GAA
SCHEMBL8976032 0.80 ALOX15 (0.80) GAA

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
US-5434184-A B3-adrenoceptor agonist ZENECA LIMITED (GB) 1995-07-18 US disclosed