SCHEMBL7734159

SCHEMBL7734159

CC(N1CCC(Cc2ccccc2)CC1)C(O)(NC(=O)c1ccccc1)c1ccc(N)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
OPRM1 P35372 3/20 0.45
CCR3 P51677 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7734165 0.84 MEN1 (0.49) KCNH2HRH3GRIN1GRIN2BOPRM1
SCHEMBL7733553 0.82 KDM4E (0.52) KCNH2HRH3OPRM1POLBMEN1
SCHEMBL7732681 0.78 MEN1 (0.46) KCNH2HRH3GRIN1GRIN2BMEN1
SCHEMBL7734147 0.72 CCR3 (0.49) KCNH2GRIN1GRIN2BCCR3MEN1
SCHEMBL10735474 0.71 GRIN2B (0.73) KCNH2HRH3GRIN1GRIN2BOPRM1
SCHEMBL5165726 0.71 FAAH (0.60) POLBMEN1KMT2A
SCHEMBL8132329 0.70 MEN1 (0.53) KCNH2HRH3GRIN1GRIN2BOPRM1
SCHEMBL7732623 0.69 HTT (0.54) KCNH2HRH3MEN1KMT2A
SCHEMBL7734180 0.69 GRIN2B (0.80) KCNH2GRIN1GRIN2B
SCHEMBL7238944 0.68 CA12 (0.73) CCR3MEN1KMT2A

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
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