SCHEMBL3482910

SCHEMBL3482910

COc1ccc(N2[CH]CNCC2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.49
HTR3E A5X5Y0 2/20 0.49
HTR3B O95264 2/20 0.49
HTR3D Q70Z44 2/20 0.49
HTR3C Q8WXA8 2/20 0.49
KDM4E B2RXH2 1/20 0.45
HTR1A P08908 2/20 0.44
ADRB1 P08588 3/20 0.44
KMT2A Q03164 1/20 0.44
HTR2C P28335 3/20 0.42
HTR2A P28223 2/20 0.42
HTR2B P41595 1/20 0.41
TSHR P16473 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SIGMAR1 Q99720 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
SCHEMBL3483188 0.80 DRD2 (0.61) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL30747759 0.78 HTR3A (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL233151 0.78 HTR3A (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL7711668 0.77 HTR3A (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL4905371 0.77 HTR3A (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2410875 0.76 ADRB1 (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL3482603 0.76 ADRB1 (0.62) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL12932476 0.73 HTR3A (0.64) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6710534 0.72 HTR3A (0.62) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL1062874 0.72 HTR3A (0.62) HTR3AHTR3EHTR3BHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150550-A1 NOVEL CARBAMOYLOXY ARYL ALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK Holdings Co., Ltd. (KR) 2010-02-10 EP disclosed
WO-2008140197-A1 NOVEL CARBAMOYLOXY ARYL ALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK HOLDINGS CO., LTD. (KR) 2008-11-20 WO disclosed