SCHEMBL9628703

SCHEMBL9628703

CCCNC(=O)Oc1ccc2c(c1)CC(CN(C)CCC)O2

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.45
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39
BCHE P06276 7/20 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
SCHEMBL10460568 0.84 MGLL (0.47) ACHE
SCHEMBL10551546 0.82 ACHE (0.51) ACHEBCHE
SCHEMBL9628694 0.80 HRH3 (0.55)
SCHEMBL9628700 0.78 ACHE (0.49) ACHE
SCHEMBL10460150 0.78 ACHE (0.39) ACHEMMP2BCHE
SCHEMBL9628753 0.76 ALDH1A1 (0.42) ACHEBCHE
SCHEMBL9628546 0.75 DRD3 (0.45)
SCHEMBL9627781 0.74 HRH3 (0.38)
SCHEMBL9627815 0.74 BCHE (0.49) ACHEBCHE
SCHEMBL9628680 0.71 KMT2A (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0281261-B1 3-AMINOMETHYL DERIVATIVES OF INDANE, INDOLINE AND DIHYDROBENZOFURANE AND DIHYDROBENZOTHIOPHENE H. LUNDBECK A/S (DK) 1992-05-06 EP disclosed
US-4946863-A CNS-affecting 6-oxy-3-aminomethyl indanes, compositions thereof, and method of treating therewith H. LUNDBECK A/S (DK) 1990-08-07 US disclosed
US-4847254-A CNS affecting 5-oxy-3-aminomethyl-dihydro-benzofurans and benzothiophenes H. LUNDBECK A/S (DK) 1989-07-11 US disclosed
EP-0281261-A2 3-Aminomethyl derivatives of indane, indoline and dihydrobenzofurane and dihydrobenzothiophene H. LUNDBECK A/S (DK) 1988-09-07 EP disclosed