SCHEMBL8638671

SCHEMBL8638671

CN1CCN(C(N)=O)CC1.O=C(O)C1(c2cccnc2)CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
CHRM1 P11229 1/20 0.40
ITGA4 P13612 2/20 0.40
ITGB7 P26010 2/20 0.40
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TET3 O43151 1/20 0.37
FBXL19 Q6PCT2 1/20 0.37
CXXC5 Q7LFL8 1/20 0.37
TET1 Q8NFU7 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
CXXC4 Q9H2H0 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
KIT P10721 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
KDM5A P29375 1/20 0.36

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
Hydrochloric Acid SCHEMBL8355556 0.86 KMT2A (0.47) KMT2AMEN1ALDH1A1CHRM1TET3
SCHEMBL8302463 0.83 ITGA4 (0.46) KMT2AMEN1ALDH1A1LMNAITGA4
Hydrochloric Acid SCHEMBL8350428 0.82 ITGA4 (0.45) KMT2AMEN1ALDH1A1LMNAITGA4
SCHEMBL27953257 0.81 ITGA4 (0.48) KMT2AMEN1ALDH1A1LMNACHRM1
SCHEMBL7467936 0.77 OPRM1 (0.45) KMT2AMEN1ALDH1A1LMNAITGA4
SCHEMBL18390235 0.76 HSD11B1 (0.53) KMT2AMEN1ALDH1A1LMNACHRM1
SCHEMBL8638673 0.76 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1LMNAITGA4
Hydrochloric Acid SCHEMBL8347400 0.76 OPRM1 (0.44) KMT2AMEN1ALDH1A1LMNAITGA4
Hydrochloric Acid SCHEMBL8355525 0.75 HSD11B1 (0.52) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL8349941 0.74 HSD11B1 (0.54) KMT2AMEN1ALDH1A1LMNASMN1; 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
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed