SCHEMBL11238239

SCHEMBL11238239

OC1CCCN(Oc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.41
SCN9A Q15858 3/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
HSD11B1 P28845 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
LTA4H P09960 1/20 0.37
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
BRDT Q58F21 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
F2R P25116 1/20 0.35

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
SCHEMBL30065109 0.82 LTA4H (0.49) LIPEMEN1ALDH1A1KMT2ALTA4H
SCHEMBL9706430 0.82 LTA4H (0.45) LIPEMEN1ALDH1A1KMT2ALTA4H
Hydrochloric Acid SCHEMBL6243653 0.79 ALDH1A1 (0.47) LIPEMEN1ALDH1A1KMT2ALTA4H
SCHEMBL2091733 0.78 LTA4H (0.37) LTA4H
SCHEMBL2091737 0.78 MEN1 (0.45) LIPEMEN1KMT2ALTA4HHRH3
SCHEMBL61425 0.69 NOTUM (0.58) MEN1ALDH1A1MAPTKMT2AHRH3
SCHEMBL18798926 0.68 TEAD1 (0.56) LIPEMMP2
SCHEMBL9052835 0.68 NOTUM (0.56) LMNATRPV1
SCHEMBL1035980 0.66 ALDH1A1 (0.65) MEN1ALDH1A1KMT2A
SCHEMBL5536446 0.65 GAA (0.71) MEN1KMT2AHSD11B1TRPV1

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-4320137-A Derivatives of perhydro-aza-heterocycles CIBA-GEIGY CORPORATION (US) 1982-03-16 US disclosed
US-4246269-A Antidepressant piperidinones CIBA-GEIGY CORPORATION (US) 1981-01-20 US disclosed
US-4160837-A ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1979-07-10 US disclosed