SCHEMBL8366383

SCHEMBL8366383

C1=CC(OCC2CNCCO2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.48
SLC6A2 P23975 8/20 0.48
SLC6A3 Q01959 6/20 0.48
HTR2A P28223 4/20 0.48
HTR2B P41595 2/20 0.48
HRH1 P35367 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR3A P46098 1/20 0.48
ADRB2 P07550 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA2C P18825 1/20 0.48
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL11079827 0.81 TDP1 (0.42) HTR2ACYP1A2CYP3A4
SCHEMBL11553490 0.74 SLC6A2 (0.44) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL11033495 0.72 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL2925939 0.69 HTR2A (0.65) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL2924439 0.69 HTR2A (0.65) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL1002267 0.69 HTR2A (0.65) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL26668485 0.68 SLC6A2 (0.56) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL26668478 0.68 SLC6A2 (0.56) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL31381398 0.68 SLC6A2 (0.56) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL971425 0.67 SLC6A2 (0.55) SLC6A4SLC6A2SLC6A3HTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999043302-A1 STABILIZING COMPOSITION FOR PHARMACEUTICAL DOSAGE FORMS WATSON PHARMACEUTICALS, INC. (US) 1999-09-02 WO claimed
US-4109088-A ANTIDEPRESSANTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1978-08-22 US claimed
US-4109088-A ANTIDEPRESSANTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1978-08-22 US disclosed
US-4109088-A ANTIDEPRESSANTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1978-08-22 US disclosed