SCHEMBL4384525

SCHEMBL4384525

O=C(C=Cc1ccc(F)c(C(F)(F)F)c1)N1CCN(c2ccncc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
ACHE P22303 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL14190914 1.00 LMNA (0.49) LMNASMN1; SMN2ALDH1A1TP53HPGD
SCHEMBL14218005 0.79 TDP1 (0.60) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL14190937 0.77 ALDH1A1 (0.47) LMNAALDH1A1TP53
SCHEMBL13636500 0.77 GPR183 (0.52) LMNAALDH1A1TP53MEN1KMT2A
SCHEMBL4383997 0.77 ALDH1A1 (0.47) LMNAALDH1A1TP53
SCHEMBL4382910 0.77 GPR183 (0.52) LMNAALDH1A1TP53MEN1KMT2A
SCHEMBL4382905 0.76 ALDH1A1 (0.46) LMNASMN1; SMN2ALDH1A1TP53MEN1
SCHEMBL14190922 0.76 ALDH1A1 (0.46) LMNASMN1; SMN2ALDH1A1TP53MEN1
SCHEMBL27557310 0.76 ITGAL (0.65) LMNASMN1; SMN2ALDH1A1TP53HPGD
SCHEMBL2832628 0.75 ITGAL (0.45) LMNASMN1; SMN2ALDH1A1TP53HPGD

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
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP claimed
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP disclosed