SCHEMBL2788730

SCHEMBL2788730

C=CC(=O)N1CCN(CCOCCO)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TEAD3 Q99594 3/20 0.53
▸ NAMPT P43490 4/20 0.42
▸ HTR1A P08908 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ABCB11 O95342 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR7 P34969 1/20 0.37

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
SCHEMBL16281588 0.83 TEAD3 (0.53) TEAD3KDM4EHRH2HRH1DRD3
SCHEMBL16281582 0.82 TEAD3 (0.47) TEAD3KDM4EALDH1A1CYP2D6TSHR
SCHEMBL3553321 0.81 NAMPT (0.44) TEAD3NAMPTHTR1ASMN1; SMN2KDM4E
SCHEMBL4905012 0.80 HTR1A (0.54) NAMPTHTR1ASMN1; SMN2KDM4ENSD2
SCHEMBL8966405 0.80 — —
SCHEMBL16281565 0.79 HSD11B1 (0.51) TEAD3NAMPTKDM4EDRD2DRD3
SCHEMBL15435923 0.79 NAMPT (0.43) NAMPTHTR1ASMN1; SMN2KDM4ENSD2
SCHEMBL12976558 0.79 DRD3 (0.51) NAMPTHTR1ASMN1; SMN2KDM4ENSD2
SCHEMBL16507931 0.79 NAMPT (0.43) NAMPTHTR1ASMN1; SMN2KDM4ENSD2
SCHEMBL18362307 0.79 NAMPT (0.43) NAMPTHTR1ASMN1; SMN2KDM4ENSD2

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-20130228520-A1 POLYMER COATINGS THAT RESIST ADSORPTION OF PROTEINS GIN DOUGLAS L (US) 2013-09-05 — — US disclosed
US-20100096327-A1 POLYMER COATINGS THAT RESIST ADSORPTION OF PROTEINS NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2010-04-22 — — US disclosed
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