SCHEMBL9447134

SCHEMBL9447134

CCOC(c1ccccc1)N1C=NCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.35
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
OPRL1 P41146 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP26A1 O43174 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL9447030 0.88 OPRM1 (0.36) L3MBTL1MEN1KMT2AALDH1A1TSHR
SCHEMBL9447192 0.76 OPRM1 (0.43) TSHROPRM1OPRD1OPRK1OPRL1
SCHEMBL9447077 0.74 OPRM1 (0.49) TSHROPRM1OPRD1OPRK1OPRL1
SCHEMBL7951502 0.74 CYP2D6 (0.52) MEN1KMT2AALDH1A1OPRM1OPRD1
SCHEMBL27972359 0.74 CYP2D6 (0.52) MEN1KMT2AALDH1A1OPRM1OPRD1
SCHEMBL11830842 0.70 LMNA (0.36) MEN1KMT2AALDH1A1TSHROPRM1
SCHEMBL28033232 0.70 RCE1 (0.35) ALDH1A1TSHRHTT
SCHEMBL28047160 0.70 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1
SCHEMBL11193610 0.69 CYP2D6 (0.38) ALDH1A1TSHROPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL28274952 0.69 OPRM1 (0.52) MEN1KMT2AOPRM1OPRD1OPRK1

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