SCHEMBL6470401

SCHEMBL6470401

[CH2]C(Cc1c[nH]c2ccccc12)c1c[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.57
HTR2C P28335 3/20 0.57
HTR2B P41595 2/20 0.57
HTR1D P28221 2/20 0.57
HTR1B P28222 2/20 0.57
HTR7 P34969 2/20 0.57
HTR6 P50406 2/20 0.57
ADRB1 P08588 1/20 0.57
HTR1A P08908 1/20 0.57
ADRA2A P08913 1/20 0.57
SLC6A2 P23975 1/20 0.57
HTR1E P28566 1/20 0.57
SLC6A4 P31645 1/20 0.57
SLC6A3 Q01959 1/20 0.57
GPR84 Q9NQS5 4/20 0.55
MAPT P10636 3/20 0.55
CYP3A4 P08684 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
AHR P35869 1/20 0.55

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
SCHEMBL4657384 0.81 HTR2A (0.72) HTR2AHTR2CHTR2BHTR1DHTR1B
SCHEMBL5000253 0.81 HTR2A (0.72) HTR2AHTR2CHTR2BHTR1DHTR1B
SCHEMBL5003380 0.81 HTR2A (0.72) HTR2AHTR2CHTR2BHTR1DHTR1B
SCHEMBL5611708 0.79 CYP2D6 (0.55) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL11709109 0.79 GPR84 (0.69) HTR2AHTR2CHTR2BHTR1DHTR1B
SCHEMBL9026854 0.79 HTR2A (0.70) HTR2AHTR2CHTR2BHTR1DHTR1B
SCHEMBL17232879 0.78 GPR84 (0.62) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL4423757 0.77 GPR84 (0.53) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL27520145 0.76 SMN1; SMN2 (0.56) HTR2AHTR2CHTR2BHTR1DHTR1B
SCHEMBL827572 0.75 HTR2A (0.74) HTR2AHTR2CHTR2BHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO claimed
EP-0374098-A2 Inhibitors of retroviral proteases CIBA-GEIGY AG (CH) 1990-06-20 EP disclosed
EP-0054435-A1 N-acyl peptide compounds, processes for the preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-06-23 EP disclosed
US-4294757-A BLEACHING CELLULOSE FIBERS AND ADDITION OF ALKALI METAL POLYPHOSPHATES AND ALKALI METAL DIETHYLENETRIAMINE PENTA(METHYLENE PHOSPHONAT) TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1981-10-13 US disclosed
EP-0014402-A1 Novel 20-0-acylmaytansinoids, process for their preparation and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-08-20 EP disclosed