SCHEMBL8201075

SCHEMBL8201075

OCCCC1c2ccccc2CCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.55
RET P07949 1/20 0.55
HRH1 P35367 8/20 0.53
OPRM1 P35372 1/20 0.43
ACP3 P15309 1/20 0.43
HTR2C P28335 2/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD3 P35462 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAPT P10636 1/20 0.40

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
SCHEMBL7167654 0.88 HTR2A (0.59) HTR2ARETHRH1ACP3HTR2C
SCHEMBL8994177 0.83 HTR2A (0.66) HTR2ARETHRH1HTR2CMAPT
SCHEMBL11877356 0.81 HTR2A (0.79) HTR2ARETHRH1HTR2CCHRM1
SCHEMBL11891459 0.81 SIGMAR1 (0.50) HTR2ARETHRH1OPRM1HTR2C
SCHEMBL8993284 0.79 HTR2A (0.52) HTR2AHRH1OPRM1HTR2CCHRM1
SCHEMBL9875531 0.79 HTR2A (0.63) HTR2ARETHRH1ACP3HTR2C
SCHEMBL8859025 0.79 HTR2A (0.49) HTR2ARETHRH1ACP3HTR2C
SCHEMBL80413 0.77 SIGMAR1 (0.56)
SCHEMBL8271368 0.77 HTR2A (0.81) HTR2ARETHRH1OPRM1HTR2C
SCHEMBL8271379 0.77 HTR2A (0.81) HTR2ARETHRH1HTR2CCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0738262-B1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK AS (DK) 2000-04-19 EP disclosed
US-6043239-A N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF IN WHICH A SUBSTITUTED ALKYL CHAIN FORMS PART OF THE N-SUBSTITUENT; TREATMENT OF PAINFUL, HYPERALGESIC AND/OR INFLAMMATORY CONDITIONS NOVO NORDISK A/S (DK) 2000-03-28 US disclosed
EP-0869777-A1 NOVEL METHOD NOVO NORDISK A/S (DK) 1998-10-14 EP disclosed
US-5668129-A ANTIINFLAMMATORY AGENTS, ANALGESICS OR ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 1997-09-16 US disclosed
WO-1997022338-A1 NOVEL METHOD NOVO NORDISK A/S (DK) 1997-06-26 WO disclosed
US-5595989-A ANTIINFLAMMATORY AGENTS AND ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 1997-01-21 US disclosed
EP-0738262-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-23 EP disclosed
WO-1995018793-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1995-07-13 WO disclosed