SCHEMBL8975616

SCHEMBL8975616

O=C(NCCN1CCCCCC1)C(c1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.94
SLC6A2 P23975 3/20 0.68
SLC6A3 Q01959 3/20 0.68
TP53 P04637 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
TSHR P16473 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MEN1 O00255 1/20 0.59
POLB P06746 1/20 0.59
KMT2A Q03164 1/20 0.59
CNR1 P21554 1/20 0.56
CNR2 P34972 1/20 0.56

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 SCHEMBL11636520 0.97 RAB9A (1.00) RAB9ASLC6A2SLC6A3TP53CYP1A2
SCHEMBL8975590 0.92 RAB9A (0.80) RAB9ASLC6A2SLC6A3TP53CYP1A2
Palmitic Acid SCHEMBL11482483 0.84 RAB9A (0.72) RAB9ASLC6A2SLC6A3TP53CYP1A2
SCHEMBL127216 0.81 RAB9A (0.64) RAB9ATP53CYP1A2CYP3A4CYP2D6
SCHEMBL4877646 0.81 TP53 (0.84) RAB9ASLC6A2SLC6A3TP53CYP1A2
Hydrochloric Acid SCHEMBL11484449 0.81 RAB9A (0.71) RAB9ATP53CYP1A2CYP3A4CYP2D6
Pamoic Acid SCHEMBL11489611 0.79 RAB9A (0.64) RAB9ASLC6A2SLC6A3CYP3A4MEN1
SCHEMBL20490270 0.78 RAB9A (0.59) RAB9ASLC6A2SLC6A3TP53CYP1A2
SCHEMBL4502913 0.77 CYP1A2 (0.73) CYP1A2CYP2D6MEN1POLBKMT2A
SCHEMBL14273942 0.77 OPRL1 (0.65) RAB9ASLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0475844-B1 Use of N-(1.hexahydroazepinylalkyl) acetamides for the manufacture of medicaments for the treatment of disorders of the cholineogic transmission UNIV CAEN (FR) 1996-04-17 EP claimed
US-5200405-A USE OF N-(1-HEXAHYDROAZEPINYLALKYL) ACETAMIDES FOR THE TREATMENT OF CHOLINERGIC TRANSMISSION DISORDERS ADIR ET COMPAGNIE (FR) 1993-04-06 US claimed
EP-0475844-A1 Use of N-(1.hexahydroazepinylalkyl) acetamides for the manufacture of medicaments for the treatment of disorders of the cholineogic transmission UNIVERSITE DE CAEN (FR) 1992-03-18 EP claimed
EP-0475844-B1 Use of N-(1.hexahydroazepinylalkyl) acetamides for the manufacture of medicaments for the treatment of disorders of the cholineogic transmission UNIV CAEN (FR) 1996-04-17 EP disclosed
US-5200405-A USE OF N-(1-HEXAHYDROAZEPINYLALKYL) ACETAMIDES FOR THE TREATMENT OF CHOLINERGIC TRANSMISSION DISORDERS ADIR ET COMPAGNIE (FR) 1993-04-06 US disclosed
EP-0475844-A1 Use of N-(1.hexahydroazepinylalkyl) acetamides for the manufacture of medicaments for the treatment of disorders of the cholineogic transmission UNIVERSITE DE CAEN (FR) 1992-03-18 EP disclosed