SCHEMBL7361903

SCHEMBL7361903

O=C(Cl)CCCCCNC(=O)Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.69
ATM Q13315 1/20 0.67
HPGD P15428 3/20 0.64
GAA P10253 1/20 0.64
NAMPT P43490 1/20 0.57
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
CNR1 P21554 1/20 0.53
KCNH2 Q12809 1/20 0.51
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL6349089 0.87 ATM (0.87) TRPV1ATMHPGDGAANAMPT
SCHEMBL5656019 0.87 ATM (0.87) TRPV1ATMHPGDGAANAMPT
SCHEMBL10585628 0.87 TRPV1 (0.83) TRPV1ATMHPGDGAANAMPT
SCHEMBL9827968 0.85 ATM (0.90) TRPV1ATMHPGDGAANAMPT
SCHEMBL3734368 0.82 HDAC3 (0.72) TRPV1ATMHDAC3HDAC1HDAC2
SCHEMBL10771945 0.82 TRPV1 (0.66) TRPV1ATMHPGDGAANAMPT
SCHEMBL4585546 0.81 TRPV1 (0.73) TRPV1ATMHPGDGAANAMPT
SCHEMBL4585892 0.81 TRPV1 (0.73) TRPV1ATMHPGDGAANAMPT
SCHEMBL8210207 0.81 TRPV1 (0.73) TRPV1ATMHPGDGAANAMPT
SCHEMBL8197547 0.81 TRPV1 (0.73) TRPV1ATMHPGDGAANAMPT

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