SCHEMBL7873618

SCHEMBL7873618

CC(=O)Nc1ccc(OCCNC(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
CYP1A2 P05177 2/20 0.64
ADRB2 P07550 1/20 0.64
ADRB1 P08588 1/20 0.64
ADRB3 P13945 1/20 0.64
OPRK1 P41145 1/20 0.64
CYP2D6 P10635 1/20 0.64
ALOX15 P16050 1/20 0.64
TSHR P16473 1/20 0.64
CYP2C19 P33261 1/20 0.64
ALDH1A1 P00352 4/20 0.63
LMNA P02545 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
MAPT P10636 2/20 0.56
EPHX2 P34913 1/20 0.54
HTT P42858 1/20 0.51
TBXAS1 P24557 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 1/20 0.50

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
Hydrochloric Acid SCHEMBL7866916 0.98 MEN1 (0.63) MEN1KMT2ACYP1A2ADRB2ADRB1
SCHEMBL11111056 0.84 ALDH1A1 (0.80) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL10802880 0.82 ALDH1A1 (0.77) MEN1KMT2ACYP1A2ALDH1A1LMNA
SCHEMBL7869922 0.82 MAPT (0.56) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL10409422 0.81 L3MBTL1 (0.64) ADRB2ALOX15TSHRALDH1A1LMNA
SCHEMBL7866908 0.81 MAPT (0.50) MEN1KMT2ACYP1A2ADRB2ADRB1
Hydrochloric Acid SCHEMBL7868840 0.81 MAPT (0.55) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL9570672 0.80 ALDH1A1 (0.75) MEN1KMT2ACYP1A2ALDH1A1LMNA
SCHEMBL9570550 0.80 ALDH1A1 (0.75) MEN1KMT2ACYP1A2ALDH1A1LMNA
SCHEMBL7873989 0.80 SMN1; SMN2 (0.47) MEN1KMT2ACYP1A2ADRB2ADRB1

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
US-6300368-B1 FOR THERAPY OF ATRIAL ARRHYTHMIA MITSUI CHEMICALS, INC. (JP) 2001-10-09 US disclosed
EP-0968999-A1 Anilide derivatives and antiarrhythmic agents containing the same Mitsui Chemicals, Inc. (JP) 2000-01-05 EP disclosed