SCHEMBL7836873

SCHEMBL7836873

COc1ccc(F)cc1OCCNCCc1c[nH]c2ccc(F)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 1.00
SLC6A4 P31645 13/20 0.88
MPO P05164 5/20 0.63

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
SCHEMBL7837922 0.94 HTR1A (1.00) HTR1ASLC6A4MPO
SCHEMBL7844899 0.87 HTR1A (1.00) HTR1ASLC6A4MPO
SCHEMBL7844041 0.80 HTR1A (1.00) HTR1ASLC6A4MPO
SCHEMBL2403826 0.78 MPO (1.00) HTR1ASLC6A4MPO
SCHEMBL2405001 0.77 MPO (1.00) HTR1ASLC6A4MPO
SCHEMBL13938361 0.77 HTR1A (0.69) HTR1ASLC6A4MPO
SCHEMBL7836687 0.76 HTR1A (1.00) HTR1ASLC6A4MPO
SCHEMBL20441315 0.76 MPO (0.67) HTR1ASLC6A4MPO
SCHEMBL14075529 0.76 HTR1A (0.60) HTR1ASLC6A4MPO
SCHEMBL2407287 0.76 MPO (1.00) HTR1ASLC6A4MPO

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-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US claimed
US-6291683-B1 AS ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORP 2001-09-18 US disclosed
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed
EP-1070050-A1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION (5-HT1A RECEPTOR ACTIVE AGENTS) AMERICAN HOME PRODUCTS CORPORATION (US) 2001-01-24 EP disclosed
US-6121307-A SIDE EFFECT REDUCTION; ADMINISTERING TO TREAT DEPRESSION AMERICAN HOME PRODUCTS CORP. (US) 2000-09-19 US disclosed
WO-1999051575-A1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION (5-HT1A RECEPTOR ACTIVE AGENTS) AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-14 WO disclosed