SCHEMBL9447197

SCHEMBL9447197

CCC1=NCCN1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.57
HTR1B P28222 1/20 0.57
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
DRD4 P21917 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
BRD4 O60885 1/20 0.42
CHRNA1 P02708 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
SCHEMBL9447081 0.87 HTR1D (0.54) HTR1DHTR1BCYP1A2CYP2D6GAA
SCHEMBL4102420 0.84 HTR1D (0.55) HTR1DHTR1BCYP1A2CYP2D6POLB
SCHEMBL11135471 0.84 CYP1A2 (0.71) HTR1DHTR1BCYP1A2CYP2D6LMNA
SCHEMBL25293971 0.84 HTR1D (0.52) HTR1DHTR1BCYP1A2CYP2D6POLB
SCHEMBL7338988 0.83 HTR1D (0.53) HTR1DHTR1BCYP1A2CYP2D6POLB
SCHEMBL28047159 0.82 HTR1D (0.50) HTR1DHTR1BCYP1A2CYP2D6DRD4
Hydrochloric Acid SCHEMBL7346644 0.81 HTR1D (0.52) HTR1DHTR1BCYP1A2CYP2D6POLB
Hydrochloric Acid SCHEMBL28274951 0.81 HTR1D (0.49) HTR1DHTR1BCYP1A2CYP2D6DRD4
SCHEMBL4762221 0.80 HTR1D (0.51) HTR1DHTR1BCYP1A2CYP2D6GAA
Hydrochloric Acid SCHEMBL31497691 0.79 HTR1D (0.48) HTR1DHTR1BCYP1A2CYP2D6DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1902140-B Sizing composition for an insulating product based on mineral wool, and resulting products SAINT-GOBAIN ISOVER (FR) 2012-02-22 CN claimed
CN-1902140-A Sizing composition for an insulating product based on mineral wool, and resulting products SAINT GOBAIN ISOVER (FR) 2007-01-24 CN claimed
CN-1902140-B Sizing composition for an insulating product based on mineral wool, and resulting products SAINT-GOBAIN ISOVER (FR) 2012-02-22 CN disclosed
CN-1902140-A Sizing composition for an insulating product based on mineral wool, and resulting products SAINT GOBAIN ISOVER (FR) 2007-01-24 CN disclosed
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