SCHEMBL7345174

SCHEMBL7345174

CC(C)n1nc(C(=O)NCC2CCN(CCCN(C)C)CC2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 20/20 1.00
HTR2A P28223 8/20 0.74
KCNH2 Q12809 4/20 0.74

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 SCHEMBL7344684 0.85 HTR4 (1.00) HTR4HTR2AKCNH2
SCHEMBL13220645 0.85 HTR4 (1.00) HTR4HTR2AKCNH2
Oxalic Acid SCHEMBL7344927 0.85 HTR4 (0.85) HTR4HTR2AKCNH2
Hydrochloric Acid SCHEMBL7341669 0.84 HTR4 (1.00) HTR4HTR2AKCNH2
Hydrochloric Acid SCHEMBL7337583 0.84 HTR4 (1.00) HTR4HTR2AKCNH2
SCHEMBL7342942 0.83 HTR4 (1.00) HTR4HTR2AKCNH2
SCHEMBL1405951 0.82 HTR4 (0.98) HTR4HTR2AKCNH2
Hydrochloric Acid SCHEMBL7338832 0.82 HTR4 (1.00) HTR4HTR2AKCNH2
Hydrochloric Acid SCHEMBL4413286 0.82 HTR4 (1.00) HTR4HTR2AKCNH2
SCHEMBL3042859 0.81 HTR4 (1.00) HTR4HTR2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975623-B1 INDAZOLE AMIDE COMPOUNDS AS SEROTONINERGIC AGENTS ACRAF (IT) 2002-06-19 EP disclosed
US-6197769-B1 SEROTONINE RECEPTORS ANTAGONIST; GASTROINTESTINAL DISORDERS, ANTIARRHYTHMIA AGENTS; INCONTINENCE AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2001-03-06 US disclosed