SCHEMBL6876567

SCHEMBL6876567

COc1ccc(N)cc1N1CCNCCNCCNCC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.66
HTR3B O95264 3/20 0.66
HTR3A P46098 3/20 0.66
HTR3D Q70Z44 3/20 0.66
HTR3C Q8WXA8 3/20 0.66
HTR6 P50406 8/20 0.59
ADRB1 P08588 1/20 0.59
DRD2 P14416 1/20 0.59
CYP2C19 P33261 1/20 0.59
DRD3 P35462 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
LMNA P02545 2/20 0.58
MAPT P10636 2/20 0.58
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HTR7 P34969 2/20 0.50
NCF1 P14598 1/20 0.48

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
SCHEMBL2779635 0.98 HTR3E (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL1641730 0.97 HTR3A (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7732043 0.86 HTR3A (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14320628 0.83 MAPT (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5701472 0.82 ALDH1A1 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3973132 0.81 HTR3A (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2349863 0.81 HTR3A (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL31652018 0.81 HTR3A (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1397389 0.81 DRD2 (0.60) HTR6DRD2CYP2C19DRD3LMNA
SCHEMBL14009665 0.79 HTR3E (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C

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-1419178-A1 SOMATOSTATIN ANALOGUES AND THEIR USE SOMATOSTATIN ANALOGUES BINDING TO ALL SOMATOSTATIN RECEPTOR AND THEIR USE University of Bern (CH) 2004-05-19 EP disclosed
WO-2003014158-A1 SOMATOSTATIN ANALOGUES AND THEIR USE SOMATOSTATIN ANALOGUES BINDING TO ALL SOMATOSTATIN RECEPTOR AND THEIR USE UNIVERSITY OF BERN (CH) 2003-02-20 WO disclosed