SCHEMBL11230944

SCHEMBL11230944

CCOc1ccc(COC2CN(CC)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 5/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NQO1 P15559 1/20 0.44
DRD4 P21917 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL11225338 0.87 NAAA (0.47) NAAAALDH1A1KDM4ENPC1MEN1
SCHEMBL11236001 0.86 NAAA (0.59) NAAASMN1; SMN2NPSR1SIGMAR1MAPT
SCHEMBL11221135 0.83 NAAA (0.44) NAAADRD4TMEM97SIGMAR1CARM1
SCHEMBL11229913 0.82 NAAA (0.57) NAAAALDH1A1DRD4TMEM97SIGMAR1
SCHEMBL11227595 0.82 NAAA (0.43) NAAAALDH1A1NPC1MEN1KMT2A
SCHEMBL11232830 0.82 NAAA (0.43) NAAAALDH1A1KDM4ENPC1MEN1
SCHEMBL11232037 0.81 CARM1 (0.52) NAAASMN1; SMN2NPSR1DRD4TMEM97
SCHEMBL22788778 0.81 NAAA (0.42) NAAADRD4TMEM97SIGMAR1CARM1
SCHEMBL11229024 0.80 CTSL (0.58) NAAAALDH1A1KDM4ENPC1MEN1
SCHEMBL11233979 0.77 TP53 (0.52) NAAAALDH1A1NPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4360464-A Process for production of 1-aryloxy-aminopropane derivatives TEIKOKU HORMONE MFG. CO. LTD. (JP) 1982-11-23 US claimed
US-4360464-A Process for production of 1-aryloxy-aminopropane derivatives TEIKOKU HORMONE MFG. CO. LTD. (JP) 1982-11-23 US disclosed
US-4018824-A ANTIULCER AND ADRENERGIC BLOCKING AGENTS TEIKOKU HORMONE MFG. CO., LTD. (JA) 1977-04-19 US disclosed