SCHEMBL7876381

SCHEMBL7876381

c1cc(OCC2CC2)c2c(C3CCNCC3)c[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.49
ADRB2 P07550 1/20 0.49
IKBKB O14920 3/20 0.43
CHUK O15111 1/20 0.43
SLC6A4 P31645 6/20 0.42
SLC6A2 P23975 5/20 0.42
SLC6A3 Q01959 5/20 0.42
HTR1A P08908 4/20 0.42
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
KHK P50053 1/20 0.39
HTR6 P50406 3/20 0.39
KCNH2 Q12809 1/20 0.37

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
SCHEMBL8554103 0.81 HTR2C (0.60) HTR2CADRB2SLC6A4SLC6A2SLC6A3
SCHEMBL23228614 0.78 SLC6A2 (0.66) HTR2CSLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL24509701 0.76 HTR2A (0.50) HTR2CADRB2SLC6A4SLC6A2SLC6A3
SCHEMBL24510566 0.76 HTR1A (0.56) HTR2CADRB2SLC6A4SLC6A2SLC6A3
SCHEMBL31295202 0.76 HTR1A (0.56) HTR2CADRB2SLC6A4SLC6A2SLC6A3
SCHEMBL31295265 0.76 HTR1A (0.56) HTR2CADRB2SLC6A4SLC6A2SLC6A3
SCHEMBL4670703 0.74 HTR2C (0.58) HTR2CADRB2SLC6A4SLC6A2SLC6A3
SCHEMBL5387687 0.74 SLC6A4 (0.59) HTR2CADRB2SLC6A4SLC6A2SLC6A3
SCHEMBL26965710 0.74 HTR2C (0.58) HTR2CADRB2SLC6A4HTR2AHTR2B
SCHEMBL8879489 0.73 HTR2C (0.54) HTR2CADRB2IKBKBSLC6A4HTR6

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
CN-1178530-A Compounds having an effect on 5-hydroxytryptamine related systems LILLY CO ELI (US) 1998-04-08 CN 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