SCHEMBL8786002

SCHEMBL8786002

CC1Nc2cc(Cl)ccc2Oc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.49
HTR2C P28335 6/20 0.49
HRH1 P35367 4/20 0.49
ADRA2A P08913 3/20 0.49
DRD2 P14416 3/20 0.49
ADRA2C P18825 3/20 0.49
DRD1 P21728 3/20 0.49
DRD3 P35462 3/20 0.49
CHRM2 P08172 1/20 0.49
HTR1A P08908 1/20 0.49
GABRA1 P14867 1/20 0.49
ADRA2B P18089 1/20 0.49
DRD4 P21917 1/20 0.49
SLC6A2 P23975 1/20 0.49
ADRA1D P25100 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
HTR2B P41595 1/20 0.49
HTR3A P46098 1/20 0.49

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
SCHEMBL11541659 0.85 LMNA (0.42) HTR2AHTR2CHRH1ADRA2ADRD2
SCHEMBL11615850 0.82 HTR2A (0.46) HTR2AHTR2CHRH1ADRA2ADRD2
SCHEMBL9434823 0.81 HTR2A (0.46) HTR2AHTR2CHRH1ADRA2ADRD2
SCHEMBL9433490 0.79 HTR2A (0.44) HTR2AHTR2CHRH1ADRA2ADRD2
SCHEMBL11098945 0.78 HTR2A (0.43) HTR2AHTR2CHRH1ADRA2ADRD2
SCHEMBL9433483 0.76 HRH2 (0.42) HTR2AHTR2CHRH1ADRA2ADRD2
SCHEMBL11409655 0.75 KMT2A (0.56) HTR2AHTR2CHRH1ADRA2ADRD2
SCHEMBL31098207 0.74 HTR2A (0.47) HTR2AHTR2CHRH1ADRA2ADRD2
SCHEMBL5214553 0.73 PTPN1 (0.40) MEN1LMNAMAPTKMT2AMAPK1
SCHEMBL6045366 0.72 ALOX5 (0.65) HTR2BLMNAMAPTHTR7MAPK1

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-0534667-B1 Tricyclic heterocycles as PGE2 antagonists ZENECA LTD (GB) 1997-02-05 EP disclosed
EP-0480641-B1 Tricyclic heterocycles ZENECA LTD (GB) 1995-04-05 EP disclosed
US-5324722-A Analgesics G. D. SEARLE & CO. (US) 1994-06-28 US disclosed
US-5317101-A Antihyperalgesics IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-05-31 US disclosed
WO-1993013082-A1 SUBSTITUTED DIBENZOXAZEPINES OR DIBENZOTHIAZEPINES AND THEIR USE AS PROSTAGLANDIN E2 ANTAGONISTS G.D. SEARLE & CO. (US) 1993-07-08 WO disclosed
EP-0534667-A1 Tricyclic heterocycles as PGE2 antagonists ZENECA LIMITED (GB) 1993-03-31 EP disclosed
US-5189033-A Analgesics, antiiflammatory agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-23 US disclosed
EP-0480641-A1 Tricyclic heterocycles ZENECA LIMITED (GB) 1992-04-15 EP disclosed