SCHEMBL7398258

SCHEMBL7398258

O=C(NCC12CCCN1CCC2)c1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
CHRNA7 P36544 1/20 0.52
HCN1 O60741 4/20 0.52
HCN4 Q9Y3Q4 4/20 0.52
PREP P48147 2/20 0.50
THRB P10828 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
HCN3 Q9P1Z3 1/20 0.48
HCN2 Q9UL51 1/20 0.48
TP53 P04637 1/20 0.48
HTR4 Q13639 1/20 0.47
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47

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
SCHEMBL9458315 0.83 PREP (0.48) KMT2APREPHRH3HTR4PRMT5
SCHEMBL590971 0.82 PREP (0.49) KMT2APREPHRH3HTR4PRMT5
SCHEMBL10078783 0.79 HTR4 (0.48) PREPHRH3HTR4PRMT5WDR77
SCHEMBL9623178 0.75 HTR4 (0.50) KMT2ACHRNA7PREPHRH3HTR4
SCHEMBL7330236 0.74 KMT2A (0.67) KMT2AHRH3HTR4
SCHEMBL10288963 0.73 HDAC1 (0.62) KMT2AMEN1
SCHEMBL9078900 0.73 CNR2 (0.50) KMT2AMEN1PREPHRH3HTR4
SCHEMBL12903051 0.73 PBRM1 (0.60) KMT2AMEN1
SCHEMBL23162787 0.72 ADAM17 (0.59) PREPHTR4
SCHEMBL29988626 0.72 ADAM17 (0.59) PREPHTR4

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
US-5612366-A USEFUL IN TREATMENT OF CENTRAL NERVOUS SYSTEM AND GASTROINTESTINAL MOTILITY DISORDERS G. D. SEARLE & CO. (US) 1997-03-18 US disclosed
US-5516782-A FOR TREATMENT OF ANXIETY, PSYCHOSES, DEPRESSION OR GASTROINTESTINAL MOTILITY DISTURBANCES G. D. SEARLE & CO. (US) 1996-05-14 US disclosed
US-5318977-A New meso-azacyclic aromatic acid amides and esters as novel serotonergic agents G. D. SEARLE & CO. (US) 1994-06-07 US disclosed
EP-0528026-A1 NEW MESO-AZACYCLIC AROMATIC ACID AMIDES AND ESTERS AS NOVEL SEROTONERGIC AGENTS G.D. SEARLE & CO. (US) 1993-02-24 EP disclosed
EP-0504680-A1 New meso-azacyclic aromatic acid amides and esters as novel serotonergic agents G.D. Searle & Co. (US) 1992-09-23 EP disclosed
WO-1992015590-A1 NEW MESO-AZACYCLIC AROMATIC ACID AMIDES AND ESTERS AS NOVEL SEROTONERGIC AGENTS G.D. SEARLE & CO. (US) 1992-09-17 WO disclosed