SCHEMBL9446993

SCHEMBL9446993

CC1=NC(C)CN1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
ACHE P22303 1/20 0.42
ALOX12 P18054 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
GRM2 Q14416 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
FUCA1 P04066 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38

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
SCHEMBL28047476 0.83 BRD4 (0.40) BRD4ACHEALOX12MAPTHPGD
SCHEMBL11134630 0.80 GRM2 (0.44) BRD4ACHEALOX12MAPTHPGD
Allylbenzene SCHEMBL27610997 0.73 MAPK1 (0.33) BRD4LMNASIGMAR1ALDH1A1
SCHEMBL11134484 0.73 CYP19A1 (0.45) LMNAALDH1A1
SCHEMBL28252209 0.69 L3MBTL1 (0.38) POLBSIGMAR1ALDH1A1GAA
SCHEMBL28946773 0.69 POLB (0.50) BRD4ACHELMNAPOLBSIGMAR1
SCHEMBL8865284 0.68 KCNH2 (0.56) HPGDTSHRLMNASIGMAR1
SCHEMBL1974393 0.68 HTR1D (0.52) BRD4LMNAPOLBSIGMAR1GAA
SCHEMBL27707083 0.68 ALDH1A1 (0.46) BRD4TSHRLMNAPOLBSIGMAR1
SCHEMBL11139943 0.68 CYP1A2 (0.43) ACHESIGMAR1ALDH1A1

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 6 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
US-4411699-A AMIDINE DERIVATIVES FUJI PHOTO FILM CO., LTD. (JP) 1983-10-25 US disclosed