SCHEMBL9447113

SCHEMBL9447113

CCCCOc1ccccc1CN1C=NCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
HTR1A P08908 1/20 0.40
HTR2B P41595 1/20 0.40
MAPT P10636 3/20 0.40
ATM Q13315 2/20 0.40
HPGD P15428 1/20 0.40
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
PRKCD Q05655 1/20 0.39
PAK1 Q13153 1/20 0.39
CAMK2B Q13554 1/20 0.39
CAMK2G Q13555 1/20 0.39
CAMK2D Q13557 1/20 0.39

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
SCHEMBL9447022 0.93 HTR1A (0.46) L3MBTL1ALDH1A1TSHRMAPK1HTR1A
SCHEMBL9447121 0.87 MAPT (0.51) L3MBTL1ALDH1A1TSHRHTTHTR1A
SCHEMBL9203518 0.80 MAPT (0.44) L3MBTL1ALDH1A1TSHRHTTHTR1A
SCHEMBL9447066 0.77 ADRA2B (0.38) HTR1AMEN1KMT2A
SCHEMBL9207834 0.77 KCNH2 (0.44) L3MBTL1ALDH1A1TSHRMAPK1HTT
SCHEMBL7517264 0.73 HTR1A (0.48) L3MBTL1ALDH1A1TSHRHTR1AHTR2B
SCHEMBL7510093 0.70 HTR1A (0.57) L3MBTL1ALDH1A1TSHRMAPK1HTT
SCHEMBL9689273 0.70 L3MBTL1 (0.69) L3MBTL1ALDH1A1TSHRCYP1A2CYP2C9
SCHEMBL21243268 0.70 CYP1A2 (0.55) L3MBTL1ALDH1A1TSHRCYP1A2CYP2C9
SCHEMBL7345210 0.69 CYP1A2 (0.47) L3MBTL1ALDH1A1TSHRCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250286-A Treatment of chronic obstructive pulmonary disease (COPD) by inhalation of an imidazoline AEGIS TECHNOLOGY, INC. (US) 1993-10-05 US disclosed
EP-0527925-A4 TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) BY INHALATION OF AN IMIDAZOLINE 1993-09-15 EP disclosed
EP-0527925-A1 TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) BY INHALATION OF AN IMIDAZOLINE AEGIS TECHNOLOGIE, INC. (US) 1993-02-24 EP disclosed
US-5096916-A Administering tolazoline AEGIS TECHNOLOGY, INC. (US) 1992-03-17 US disclosed
WO-1991016891-A1 TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) BY INHALATION OF AN IMIDAZOLINE AEGIS TECHNOLOGY, INC. (US) 1991-11-14 WO disclosed