SCHEMBL7501316

SCHEMBL7501316

Nc1c(OCCNCCCc2c[nH]c3ccccc23)cccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.65
SLC6A4 P31645 10/20 0.65
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CDK2 P24941 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
SCHEMBL7497697 0.89 HTR1A (0.65) HTR1ASLC6A4
SCHEMBL7494997 0.85 HTR1A (0.74) HTR1ASLC6A4
SCHEMBL7501333 0.81 CDK2 (0.45) HTR1ASLC6A4NPC1RAB9ACDK2
SCHEMBL7334310 0.80 KDM4E (0.61) HTR1ANPC1RAB9A
SCHEMBL7843688 0.79 HTR1A (1.00) HTR1ASLC6A4
SCHEMBL7835876 0.79 HTR1A (1.00) HTR1ASLC6A4
SCHEMBL7846504 0.78 HTR1A (1.00) HTR1ASLC6A4
SCHEMBL7833926 0.77 HTR1A (1.00) HTR1ASLC6A4
Hydrochloric Acid SCHEMBL9272887 0.76 HTR1A (0.81) HTR1ASLC6A4
SCHEMBL7502129 0.76 HTR1A (0.72) HTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1068199-B1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2002-11-13 EP disclosed
EP-1068199-A2 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-01-17 EP disclosed
US-6150533-A ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORP. (US) 2000-11-21 US disclosed
WO-1999051591-A2 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-14 WO disclosed