SCHEMBL7685083

SCHEMBL7685083

O=C(O)C1CCCCN1c1nc2ccccc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.56
CHRNA7 P36544 1/20 0.52
HTR3A P46098 1/20 0.52
LMNA P02545 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 2/20 0.52
HTT P42858 2/20 0.52
TSHR P16473 1/20 0.52
HCRTR1 O43613 2/20 0.49
HCRTR2 O43614 2/20 0.49
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 1/20 0.47
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47

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
SCHEMBL6733860 1.00 ELANE (0.56) ELANECHRNA7HTR3ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL7654203 0.99 ELANE (0.55) ELANECHRNA7HTR3ALMNASMN1; SMN2
SCHEMBL2316032 0.96 ELANE (0.60) ELANECHRNA7HTR3ALMNASMN1; SMN2
SCHEMBL2313692 0.96 ELANE (0.60) ELANECHRNA7HTR3ALMNASMN1; SMN2
SCHEMBL7846334 0.89 ELANE (0.67) ELANECHRNA7HTR3ALMNASMN1; SMN2
SCHEMBL27479845 0.85 LMNA (0.51) ELANECHRNA7HTR3ALMNASMN1; SMN2
SCHEMBL6737804 0.84 GABRP (0.50) ELANESMN1; SMN2MAPTHCRTR1HCRTR2
SCHEMBL6738108 0.83 GABRP (0.51) ELANEHCRTR1HCRTR2GABRPGABRD
SCHEMBL6737810 0.83 PTGES (0.56) HCRTR1HCRTR2GABRPGABRDGABRA1
SCHEMBL6734526 0.83 ELANE (0.44) ELANELMNASMN1; SMN2MAPTHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372736-B1 ENZYME INHIBITORS PFIZER INC 2002-04-16 US disclosed
EP-1098894-A1 FKBP INHIBITORS Pfizer Limited (GB) 2001-05-16 EP disclosed
WO-2000005231-A1 FKBP INHIBITORS PFIZER LIMITED (GB) 2000-02-03 WO disclosed