SCHEMBL7339385

SCHEMBL7339385

COc1ccc2c(c1OC)C(C)CC(CCC(N)=O)C2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.45
NQO2 P16083 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
NPSR1 Q6W5P4 1/20 0.36
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 4/20 0.34
CA12 O43570 3/20 0.34
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GFER P55789 1/20 0.32
PLAU P00749 1/20 0.32

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
SCHEMBL8646170 0.77 ACHE (0.60) ACHENQO2MTNR1AMTNR1BKDM4E
SCHEMBL7339382 0.76 ACHE (0.45) ACHENQO2MTNR1AMTNR1BCA1
SCHEMBL7332638 0.74 ACHE (0.51) ACHENQO2MTNR1AMTNR1B
SCHEMBL15881462 0.69 CYP19A1 (0.52) ACHEMTNR1AMTNR1BCA1CA2
SCHEMBL15881672 0.69 CYP19A1 (0.50) ACHEMTNR1AMTNR1BCA1CA2
SCHEMBL4243156 0.66 ACHE (0.46) ACHENQO2MTNR1AMTNR1BALDH1A1
SCHEMBL7337498 0.66 DRD2 (0.47) ACHENQO2MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL7339332 0.65 DRD2 (0.46) ACHENQO2MTNR1AMTNR1B
SCHEMBL3157101 0.64 HTR2A (0.51) ACHENQO2MTNR1AMTNR1BKDM4E
SCHEMBL4251083 0.63 ACHE (0.46) ACHENQO2MTNR1AMTNR1BKDM4E

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
EP-0781126-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 2001-12-12 EP disclosed
EP-0781126-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1997-07-02 EP disclosed
WO-1996008228-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1996-03-21 WO disclosed