SCHEMBL9380281

SCHEMBL9380281

NCC1COC2(CCNCC2)O1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
PABPC1 P11940 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
GAA P10253 1/20 0.36
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
BRD4 O60885 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ABL1 P00519 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
RIN1 Q13671 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL9384132 0.81 HTR1A (0.31) HTR1AADRA1DADRA1AADRA1B
SCHEMBL8325616 0.80 PABPC1 (0.53) HTR1AADRA1DADRA1AADRA1BPABPC1
SCHEMBL9524924 0.77 HTR1A (0.40) HTR1AADRA1DADRA1AADRA1BPABPC1
SCHEMBL9738016 0.76 HTR1A (0.31) HTR1AADRA1DADRA1AADRA1B
SCHEMBL5163226 0.76 PABPC1 (0.35) HTR1APABPC1CTDSP1GAA
SCHEMBL9377673 0.74 HTR1A (0.36) HTR1AADRA1DADRA1AADRA1BPABPC1
SCHEMBL13661568 0.73 GAA (0.61) HTR1AADRA1DADRA1AADRA1BPABPC1
SCHEMBL9736937 0.72
SCHEMBL8878463 0.72 PABPC1 (0.36) PABPC1CTDSP1GAA
SCHEMBL1768148 0.69 HTR1A (0.34) HTR1AADRA1DADRA1AADRA1B

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
EP-0562042-A4 QUINOLINE, NAPHTHYRIDINE AND PYRIDOBENZOXAZINE DERIVATIVES ABBOTT LAB (US) 1994-07-06 EP disclosed