SCHEMBL7467800

SCHEMBL7467800

COc1ccccc1N1CCN(CCN2CCC(c3c[nH]c4ccc(F)cc34)CC2)CC1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.75
SLC6A4 P31645 9/20 0.66
HTR7 P34969 6/20 0.66
KCNH2 Q12809 1/20 0.66
DRD2 P14416 3/20 0.58
HTR6 P50406 3/20 0.58
HTR2A P28223 2/20 0.56
OPRM1 P35372 1/20 0.56
OPRK1 P41145 1/20 0.56
OPRL1 P41146 1/20 0.56

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
SCHEMBL7458906 0.96 HTR1A (0.73) HTR1ASLC6A4HTR7KCNH2DRD2
SCHEMBL7818172 0.92 HTR1A (0.67) HTR1ASLC6A4HTR7KCNH2DRD2
SCHEMBL7461768 0.90 HTR1A (0.60) HTR1ASLC6A4DRD2
SCHEMBL7666807 0.89 HTR1A (0.62) HTR1ASLC6A4HTR7KCNH2DRD2
Hydrochloric Acid SCHEMBL7672833 0.88 HTR1A (0.63) HTR1ASLC6A4HTR7KCNH2DRD2
Hydrochloric Acid SCHEMBL7662224 0.88 HTR1A (0.63) HTR1ASLC6A4HTR7KCNH2DRD2
SCHEMBL6637104 0.86 HTR1A (1.00) HTR1ASLC6A4HTR7KCNH2
SCHEMBL6637107 0.86 HTR1A (1.00) HTR1ASLC6A4HTR7KCNH2
SCHEMBL7466625 0.85 HTR1A (0.73) HTR1ASLC6A4HTR7KCNH2
Hydrochloric Acid SCHEMBL7668625 0.84 HTR1A (0.58) HTR1ASLC6A4HTR7KCNH2DRD2

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
EP-1073651-B1 INDOLYL DERIVATIVES AS SEROTONERGIC AGENTS WYETH CORP (US) 2002-09-25 EP claimed
EP-1073651-B1 INDOLYL DERIVATIVES AS SEROTONERGIC AGENTS WYETH CORP (US) 2002-09-25 EP disclosed
US-6066637-A NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANT AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-23 US disclosed