SCHEMBL7732672

SCHEMBL7732672

Nc1nc2ccc(C(=O)CN3CCC(Cc4ccccc4)CC3)cc2s1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.64
BCHE P06276 2/20 0.55
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP3A4 P08684 1/20 0.48

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
SCHEMBL7734109 0.82 GRIN2B (0.54) ACHEBCHEKDM4EMEN1ALDH1A1
SCHEMBL7731671 0.79 SIGMAR1 (0.59)
SCHEMBL7736257 0.79 ALDH1A1 (0.52) ACHEBCHEKDM4EMEN1ALDH1A1
SCHEMBL10460706 0.78 ACHE (1.00) ACHE
SCHEMBL7733096 0.77 ALDH1A1 (0.49) ACHEBCHEKDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL9371874 0.77 ACHE (0.98) ACHE
SCHEMBL7723256 0.77 CYP2C9 (0.55) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL4577504 0.76 GRIN1 (0.65) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL7731064 0.75 ALDH1A1 (0.47) ACHEBCHEKDM4EMEN1ALDH1A1
SCHEMBL7736141 0.75 ALDH1A1 (0.46) ACHEBCHEKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037890-A1 AMINO-BENZOTHIAZOLE DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 2000-09-27 EP claimed
WO-1999028318-A1 AMINO-BENZOTHIAZOLE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1999-06-10 WO claimed
US-6407122-B1 NEUROPROTECTIVE AGENTS, ANTIISCHEMIC, AND HYPERGLYCEMIC AGENTS; HUNTINGTON*S, PARKINSON*S, AND ALZHEIMER*S DISEASE;AMYOTROPHIC LATERAL SCLEROSIS TREATMENT; NERVOUS SYSTEM AND BRAIN DISORDERS PHARMACIA & UPJOHN S.P.A. (IT) 2002-06-18 US disclosed
EP-1037890-A1 AMINO-BENZOTHIAZOLE DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 2000-09-27 EP disclosed
WO-1999028318-A1 AMINO-BENZOTHIAZOLE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1999-06-10 WO disclosed