SCHEMBL11087718

SCHEMBL11087718

C(=CNC(c1ccccc1)c1ccccc1)CNC(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.52
RAB9A P51151 1/20 0.52
GRM7 Q14831 1/20 0.52
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 5/20 0.38
ATM Q13315 3/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 2/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 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
SCHEMBL6668500 0.77 MAOB (0.52) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL21789003 0.74 MTOR (0.58) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL6724867 0.74 MTOR (0.58) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL27496285 0.72 MTOR (0.37) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL27631395 0.71 MTOR (0.43) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL4340485 0.69 MAOB (0.42) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL8095249 0.69 MTOR (1.00) MTORRAB9AGRM7CYP3A4ALOX15
Hydrochloric Acid SCHEMBL3012657 0.68 CYP3A4 (1.00) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL15591917 0.66 GRM7 (0.65) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL22321648 0.66 MTOR (0.65) MTORRAB9AGRM7CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4448776-A Method of using certain substituted aliphatic secondary amines or their salts for easing breathing BUCHER KARL (CH) 1984-05-15 US claimed
US-4448776-A Method of using certain substituted aliphatic secondary amines or their salts for easing breathing BUCHER KARL (CH) 1984-05-15 US disclosed