SCHEMBL7337882

SCHEMBL7337882

CN(C)C(=O)Sc1ccc(CCNC(=O)C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 6/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
GSTO1 P78417 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35

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
Hydrochloric Acid SCHEMBL7338977 0.81 MTNR1A (0.34) ALDH1A1HPGDMAPTLMNA
SCHEMBL7339301 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HPGDGLAALOX12
SCHEMBL8884596 0.77 CYP1A2 (0.45) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL100897 0.77 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2HPGDGLAALOX12
SCHEMBL29989715 0.77 NPC1 (0.57) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL5913295 0.77 NPC1 (0.57) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL10409077 0.74 CYP1A2 (0.56) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL1602551 0.74 MGLL (0.51) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL98541 0.73 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2HPGDGLAALOX12
SCHEMBL113771 0.71 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2HPGDGLAALOX12

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-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
US-5674909-A FOR TREATMENT OF CARDIOVASCULAR DISORDERS ZAMBON GROUP (IT) 1997-10-07 US 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