SCHEMBL9172002

SCHEMBL9172002

COc1cc2c(cc1OC)CC(NC(=O)[C@@H]1CCCN1)CC2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
SCN4A P35499 1/20 0.46
MTNR1A P48039 8/20 0.46
MTNR1B P49286 8/20 0.46
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
ACHE P22303 3/20 0.42
CNR2 P34972 1/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL9174319 1.00 KDM4E (0.48) KDM4ESCN4AMTNR1AMTNR1BCA1
SCHEMBL9173853 0.81 MTNR1A (0.46) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL9178221 0.78 KDM4E (0.50) KDM4ECA1CA2
SCHEMBL9178199 0.78 KDM4E (0.50) KDM4ECA1CA2
SCHEMBL10247041 0.76 HDAC8 (0.55)
SCHEMBL9175988 0.74 MTNR1A (0.47) KDM4ESCN4AMTNR1AMTNR1BCA1
SCHEMBL9175985 0.74 MTNR1A (0.47) KDM4ESCN4AMTNR1AMTNR1BCA1
SCHEMBL21798809 0.74 MTNR1A (0.49) KDM4EMTNR1AMTNR1BCA1CA2
SCHEMBL9781783 0.74 CA1 (0.58) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL11040374 0.73 MTNR1A (0.61) MTNR1AMTNR1BCA1CA2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0493346-B1 Derivatives of 1,2,3,4-tetrahydronaphtylamine endowed with nootropic activity and pharmaceutical compositions containing same SIGMA TAU IND FARMACEUTI (IT) 1995-06-14 EP claimed
EP-0493346-A2 Derivatives of 1,2,3,4-tetrahydronaphtylamine endowed with nootropic activity and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1992-07-01 EP claimed
EP-0493346-B1 Derivatives of 1,2,3,4-tetrahydronaphtylamine endowed with nootropic activity and pharmaceutical compositions containing same SIGMA TAU IND FARMACEUTI (IT) 1995-06-14 EP disclosed
US-5192759-A Cognition activators, learning enhancement SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1993-03-09 US disclosed
EP-0493346-A2 Derivatives of 1,2,3,4-tetrahydronaphtylamine endowed with nootropic activity and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1992-07-01 EP disclosed