SCHEMBL9178199

SCHEMBL9178199

COc1cc2c(cc1OC)C(NC(=O)[C@@H]1CCCN1)CCC2

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MAOA P21397 2/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL9178221 1.00 KDM4E (0.50) KDM4ENPC1KMT2AMEN1CA1
SCHEMBL9175015 0.83 NPC1 (0.43) NPC1KMT2AMEN1CA1CA2
SCHEMBL9172002 0.78 KDM4E (0.48) KDM4ECA1CA2
SCHEMBL9174319 0.78 KDM4E (0.48) KDM4ECA1CA2
SCHEMBL12130771 0.77 HTT (0.58) KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL13260005 0.77 HTT (0.58) KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL30278915 0.77 HTT (0.58) KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL10081735 0.77 HTT (0.58) KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL9173225 0.74 SMN1; SMN2 (0.51) NPC1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL9177954 0.74 SMN1; SMN2 (0.51) NPC1KMT2AMEN1TSHRSMN1; SMN2

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