SCHEMBL9763088

SCHEMBL9763088

CN(C)Cc1ccc(CCCCOCCCCCCBr)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
THRA P10827 3/20 0.38
THRB P10828 3/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL9763155 0.86 HRH3 (0.46) HRH3
SCHEMBL10465525 0.81 KCNH2 (0.46) TDP1L3MBTL1THRATHRBALDH1A1
SCHEMBL9763304 0.81 HDAC3 (0.46) HRH3TDP1L3MBTL1ALDH1A1TSHR
SCHEMBL10488103 0.80 TDP1 (0.45) HRH3TDP1L3MBTL1SIGMAR1THRA
SCHEMBL9763048 0.79 THRA (0.47) THRATHRBALDH1A1SMN1; SMN2
SCHEMBL9574323 0.79 TDP1 (0.63) TDP1L3MBTL1SIGMAR1ALDH1A1TAAR1
SCHEMBL6679345 0.78 TDP1 (0.40) HRH3TDP1L3MBTL1THRATHRB
SCHEMBL9764421 0.78 THRA (0.43) THRATHRBALDH1A1
SCHEMBL9257077 0.78 TDP1 (0.53) HRH3TDP1L3MBTL1SIGMAR1MEN1
SCHEMBL454150 0.78 TDP1 (0.53) HRH3TDP1L3MBTL1SIGMAR1MEN1

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
US-4990505-A Treating asthma, bronchitis; adrenergic stimulants GLAXO GROUP LIMITED (GB) 1991-02-05 US disclosed