SCHEMBL7315457

SCHEMBL7315457

[CH2]c1ccc(OC2CCN(C)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.63
SMN1; SMN2 Q16637 2/20 0.58
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
TGFBR1 P36897 1/20 0.43
ACVR1 Q04771 1/20 0.43
MAPT P10636 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43

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
SCHEMBL14577976 0.85 HRH3 (0.67) HRH3SMN1; SMN2MAOAMAOBTGFBR1
SCHEMBL5543389 0.83 HRH3 (0.65) HRH3SMN1; SMN2MAOAMAOBTGFBR1
SCHEMBL188685 0.83 HRH3 (0.65) HRH3SMN1; SMN2MAOAMAOBTGFBR1
SCHEMBL7943168 0.82 HRH1 (0.43) HRH3SMN1; SMN2MAPT
SCHEMBL8302495 0.81 HRH3 (0.63) HRH3SMN1; SMN2MAOAMAOB
SCHEMBL14862544 0.81 HRH3 (0.63) HRH3SMN1; SMN2MAOAMAOBTGFBR1
SCHEMBL10274500 0.81 HRH3 (0.63) HRH3SMN1; SMN2MAOAMAOBMAPT
SCHEMBL578384 0.81 HRH3 (0.63) HRH3SMN1; SMN2MAOAMAOBTGFBR1
SCHEMBL14048083 0.81 HRH3 (0.63) HRH3SMN1; SMN2MAOAMAOBTGFBR1
SCHEMBL3436987 0.81 SMN1; SMN2 (0.71) HRH3SMN1; SMN2CARM1PRMT6

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-6492421-B1 BINDING VERY LATE ANTIGEN-4; INFLAMMATORY DISEASES SUCH AS ASTHMA, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, AIDS, DEMENTIA, DIABETES, INFLAMMATORY BOWEL DISEASE, RHEUMATOID ARTHRITIS, TISSUE TRANSPLANTATION, TUMOR METASTASIS, MYOCARDIAL ISCHEMIA ATHENA NEUROSCIENCES, INC. 2002-12-10 US claimed
EP-1001972-A1 SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP claimed
WO-1999006431-A1 SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed
US-6492421-B1 BINDING VERY LATE ANTIGEN-4; INFLAMMATORY DISEASES SUCH AS ASTHMA, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, AIDS, DEMENTIA, DIABETES, INFLAMMATORY BOWEL DISEASE, RHEUMATOID ARTHRITIS, TISSUE TRANSPLANTATION, TUMOR METASTASIS, MYOCARDIAL ISCHEMIA ATHENA NEUROSCIENCES, INC. 2002-12-10 US disclosed
EP-1001972-A1 SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP disclosed
WO-1999006431-A1 SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed