SCHEMBL7147426

SCHEMBL7147426

CCN(CC)CCC(C(=O)O)C(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.34
CHRM1 P11229 4/20 0.33
CHRM3 P20309 4/20 0.33
CHRM2 P08172 3/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 2/20 0.32
CYP1A2 P05177 3/20 0.32
CYP2D6 P10635 3/20 0.32
SLC6A9 P48067 1/20 0.32
CYP3A4 P08684 3/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
SCN1A P35498 1/20 0.31
MTOR P42345 1/20 0.31

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
SCHEMBL15515280 0.82 CHRM1 (0.39) LMNACHRM1CHRM3CHRM2CHRM4
SCHEMBL499963 0.78 CHRM1 (0.46) CHRM1CHRM3MEN1KMT2AMAPT
SCHEMBL11051419 0.76 LMNA (0.35) LMNACHRM1CHRM3CHRM2CHRM4
SCHEMBL20680195 0.75 CA2 (0.47) MEN1KMT2AMAPTCYP1A2HSD17B10
Hydrochloric Acid SCHEMBL18334346 0.74 LMNA (0.37) LMNACHRM1CHRM3CHRM2CHRM4
SCHEMBL166047 0.73 MAPT (0.35) CHRM1CHRM3MEN1KMT2AMAPT
SCHEMBL10697627 0.72 MAPT (0.55) MEN1KMT2AMAPTCYP1A2HSD17B10
SCHEMBL26968664 0.71 ALDH1A1 (0.36) LMNACYP1A2ALDH1A1
SCHEMBL7141661 0.70 GABRR1 (0.48) LMNACHRM1CHRM3MAPTCYP1A2
SCHEMBL15710769 0.70 SIGMAR1 (0.42) LMNACHRM1CHRM3CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095032-B1 REAGENTS FOR CYP2D FLUORESCENT ASSAY GENTEST CORP (US) 2003-12-10 EP disclosed
EP-1095032-A1 NOVEL CYP2D FLUORESCENT ASSAY REAGENTS GENTEST CORPORATION (US) 2001-05-02 EP disclosed
US-6130342-A A 2-OXOCHROMAN COMPOUND CONTAINING A QUATERNARY AMINE GROUP GENTEST CORPORATION (US) 2000-10-10 US disclosed
WO-2000004008-A1 NOVEL CYP2D FLUORESCENT ASSAY REAGENTS GENTEST CORPORATION (US) 2000-01-27 WO disclosed