SCHEMBL7885642

SCHEMBL7885642

Cc1cccc2c(C3=CCN(CCCOc4cccc5[nH]ccc45)CC3)c[nH]c12

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.72
SLC6A4 P31645 7/20 0.72
ADRA1D P25100 1/20 0.66
ADRA1A P35348 1/20 0.66
ADRA1B P35368 1/20 0.66
DRD2 P14416 7/20 0.59
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
ALOX15 P16050 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
HTR2A P28223 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL7883009 0.89 HTR1A (0.72) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL7881150 0.89 HTR1A (0.90) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL7883007 0.86 HTR1A (0.67) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL7876610 0.86 HTR1A (0.75) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL7876346 0.84 HTR1A (0.58) HTR1ASLC6A4ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7887563 0.82 HTR1A (0.72) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL7876565 0.82 HTR1A (0.72) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL9825701 0.81 HTR1A (0.70) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL7882933 0.79 HTR1A (0.70) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL7554088 0.79 HTR1A (1.00) HTR1ASLC6A4ADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172073-B1 BENZIMIDAZOLYLOXY ALKANAMINES AS SEROTONIN REUPTAKE INHIBITORS; NICOTINE AND TOBACCO WITHDRAWAL; PSYCHOLOGICAL, EATING, BRAIN, GASTROINTESTINAL, SLEEP, AND SEXUAL DISORDERS ELI LILLY AND COMPANY 2001-01-09 US disclosed
US-5789402-A Compounds having effects on serotonin-related systems ELI LILLY COMPANY (US) 1998-08-04 US disclosed
US-5741789-A HETERO-OXY ALKANAMINES ELI LILLY AND COMPANY (US) 1998-04-21 US disclosed
US-5627196-A ANTIDEPRESSANTS AND ANTISEROTONIN AGENTS ELI LILLY AND COMPANY (US) 1997-05-06 US disclosed
US-5614523-A INDOLYLOXY COMPOUNDS ELI LILLY AND COMPANY (US) 1997-03-25 US disclosed
US-5576321-A ALKOXY-SUBSTITUTED INDOLES ELI LILLY AND COMPANY (US) 1996-11-19 US disclosed
EP-0722941-A2 Compounds having effects on serotonin-related systems ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed