SCHEMBL6506744

SCHEMBL6506744

Cc1cccc(OC(NCC(C)C)C(C)O)c1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
HTR1B P28222 1/20 0.39
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
CYP2C9 P11712 1/20 0.33

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
SCHEMBL3956867 0.81 HTR1B (0.42) ADRB2ADRB1ADRB3HTR1BMAPT
SCHEMBL516150 0.73 MAPT (0.44) ADRB2ADRB1ADRB3HTR1BMAPT
SCHEMBL4778014 0.71 MAPT (0.40) ADRB2ADRB1ADRB3HTR1BMAPT
SCHEMBL15346262 0.70 KDM4E (0.42) ADRB2ADRB1ADRB3RAB9AL3MBTL1
SCHEMBL5325948 0.69 MAPT (0.47) HTR1BMAPTRAB9ALMNAL3MBTL1
SCHEMBL3720870 0.69 MAPT (0.47) HTR1BMAPTPOLBKMT2AMEN1
SCHEMBL20552998 0.67 ADRB2 (0.45) ADRB2ADRB1ADRB3LMNAKMT2A
SCHEMBL15346433 0.67 HTR1B (0.41) ADRB2ADRB1ADRB3HTR1BMAPT
SCHEMBL14271680 0.67 MAPT (0.44) HTR1BMAPTRAB9ALMNAL3MBTL1
SCHEMBL14290588 0.66 KMT2A (0.50) ADRB2ADRB1ADRB3HTR1BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005099699-A1 COMBINATION OF (S)-AMLODIPINE AND A BETA-BLOCKER, AND METHODS FOR REDUCING HYPERTENSION SEPRACOR INC. (US) 2005-10-27 WO disclosed