SCHEMBL7308225

SCHEMBL7308225

CC(=O)Nc1ccc(OCC(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.67
MEN1 O00255 4/20 0.67
LMNA P02545 4/20 0.67
CYP1A2 P05177 2/20 0.67
ADRB2 P07550 1/20 0.67
ADRB1 P08588 1/20 0.67
ADRB3 P13945 1/20 0.67
OPRK1 P41145 1/20 0.67
CYP2D6 P10635 1/20 0.67
ALOX15 P16050 1/20 0.67
TSHR P16473 1/20 0.67
CYP2C19 P33261 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
MAPT P10636 6/20 0.61
ALDH1A1 P00352 3/20 0.61
HTT P42858 2/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
EPHX2 P34913 1/20 0.55

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
SCHEMBL10415900 0.86 KMT2A (0.67) KMT2AMEN1LMNACYP1A2ADRB2
SCHEMBL13652529 0.83 POLB (0.58) KMT2AMEN1LMNACYP1A2ADRB2
SCHEMBL9585233 0.82 MEN1 (0.70) KMT2AMEN1LMNACYP1A2ADRB2
SCHEMBL11111056 0.82 ALDH1A1 (0.80) KMT2AMEN1LMNACYP1A2CYP2C19
Acetic Acid SCHEMBL28914909 0.81 MAPT (0.54) KMT2AMEN1LMNACYP1A2ADRB2
SCHEMBL4943368 0.81 MEN1 (0.68) KMT2AMEN1LMNACYP1A2ADRB2
SCHEMBL9661011 0.81 MAPT (0.78) KMT2AMEN1LMNACYP1A2ADRB2
SCHEMBL4943364 0.81 MEN1 (0.68) KMT2AMEN1LMNACYP1A2ADRB2
SCHEMBL9711829 0.81 MEN1 (0.68) KMT2AMEN1LMNACYP1A2ADRB2
SCHEMBL11438891 0.81 NR1H4 (0.62) KMT2AMEN1LMNAADRB2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019040105-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed
WO-2019040105-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed
CN-1069309-C N-(3-aminopropyl)-N-phenyl-5,6,7,8-tetrahydronaphtalene-2-carboxamide derivative, preparation and application of same SANNOFFE SYNTHELABO (FR) 2001-08-08 CN disclosed
EP-0666250-B1 Derivatives of N-(3-aminopropyl)-N-phenyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide having neuroprotective and anti-ischemic properties, their preparation and their use, in therapy SYNTHELABO (FR) 1998-02-11 EP disclosed
US-5663183-A CEREBRAL DISORDERS SYNTHELABO (FR) 1997-09-02 US disclosed
US-5550162-A TREATMENT AND PREVENTION OF CEREBRAL DISORDERS SYNTHELABO (FR) 1996-08-27 US disclosed
EP-0666250-A1 Derivatives of N-(3-aminopropyl)-N-phenyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide having neuroprotective and anti-ischemic properties, their preparation and their use, in therapy SYNTHELABO (FR) 1995-08-09 EP disclosed