SCHEMBL7828706

SCHEMBL7828706

Cn1cc(CCCC(=O)O)c2cc(F)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
RXFP1 Q9HBX9 2/20 0.56
TP53 P04637 1/20 0.56
KDM4E B2RXH2 3/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 2/20 0.47
PLA2G4A P47712 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ICMT O60725 1/20 0.44
MPO P05164 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HASPIN Q8TF76 2/20 0.43
NQO2 P16083 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43

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
SCHEMBL6512748 0.83 AKR1C3 (0.57) LMNARXFP1TP53KDM4EHPGD
SCHEMBL7734844 0.83 KDM4E (0.51) LMNARXFP1TP53KDM4EHPGD
SCHEMBL7734107 0.81 ICMT (0.50) LMNARXFP1TP53KDM4EHPGD
SCHEMBL20935020 0.81 CDK2 (0.52) LMNARXFP1TP53KDM4EHPGD
Cadaverine Tartrate SCHEMBL3703327 0.80 LMNA (0.45) LMNARXFP1TP53KDM4EHPGD
SCHEMBL7723955 0.80 KDM4E (0.48) LMNARXFP1TP53KDM4EHPGD
SCHEMBL5241306 0.80 ADRB2 (0.54) LMNARXFP1TP53KDM4EHPGD
SCHEMBL28991551 0.80 KDM4E (0.67) LMNARXFP1TP53KDM4EHPGD
SCHEMBL20242604 0.80 MTNR1A (0.56) LMNARXFP1TP53KDM4EALDH1A1
SCHEMBL21614279 0.80 KDM4E (0.50) LMNARXFP1TP53KDM4EALDH1A1

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-0861248-B1 INDOLEALKYL DERIVATIVES OF BENZODIOXANMETHYLAMINE AS 5-HT1A RECEPTOR LIGANDS AMERICAN HOME PROD (US) 2001-12-12 EP disclosed
US-5750724-A SEROTONIN 5-HT REUPTAKE INHIBITORS; ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-12 US disclosed