SCHEMBL9446985

SCHEMBL9446985

Cc1cccc(CN2C=NCC2)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.37
KMT2A Q03164 2/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
P2RX7 Q99572 3/20 0.35
CYP2A13 Q16696 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
PDE2A O00408 1/20 0.34
LMNA P02545 1/20 0.34
ACHE P22303 1/20 0.34
GPR6 P46095 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ROCK2 O75116 1/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 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
SCHEMBL4629576 0.79 TAAR1 (0.40) KMT2A
SCHEMBL9447066 0.77 ADRA2B (0.38) KMT2AMEN1SMN1; SMN2GAA
SCHEMBL3962168 0.73 KMT2A (0.49) COMTKMT2ACYP2A13PDE2ALMNA
SCHEMBL9447121 0.71 MAPT (0.51) KMT2ALMNAMEN1TP53GAA
SCHEMBL21400926 0.70 KMT2A (0.53) COMTKMT2ACYP2A13PDE2ALMNA
SCHEMBL954698 0.70 ACHE (0.32) ACHE
SCHEMBL13293671 0.69 ALDH1A1 (0.54) COMTKMT2ACYP2A13PDE2ALMNA
Hydrochloric Acid SCHEMBL956803 0.69 ACHE (0.31) ACHE
SCHEMBL9447022 0.69 HTR1A (0.46) KMT2AMEN1TP53MAPTMAPK1
SCHEMBL3278648 0.69 HTR7 (0.43)

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