SCHEMBL7014159

SCHEMBL7014159

CN1CC=C(c2c[nH]c3ccc(NCCCc4cc[n+]([O-])cc4)nc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 2/20 0.45
SLC6A4 P31645 8/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HTR1A P08908 1/20 0.40
ALOX15 P16050 1/20 0.40
HTR6 P50406 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL7005055 0.89 HTR1F (0.48) HTR1FSLC6A4KDM4ELMNAPOLB
SCHEMBL30909106 0.89 HTR1F (0.48) HTR1FSLC6A4KDM4ELMNAPOLB
SCHEMBL30909164 0.86 HTR1F (0.47) HTR1FSLC6A4KDM4ELMNAPOLB
SCHEMBL7009335 0.86 HTR1F (0.47) HTR1FSLC6A4KDM4ELMNAPOLB
SCHEMBL7013302 0.80 HTR1F (0.46) HTR1FSLC6A4KDM4ELMNAPOLB
SCHEMBL30909216 0.80 HTR1F (0.46) HTR1FSLC6A4KDM4ELMNAPOLB
SCHEMBL7012941 0.78 HTR1F (0.54) HTR1FHTR1AHTR6
SCHEMBL7010491 0.77 HTR1F (0.49) HTR1FSLC6A4KDM4ELMNAPOLB
SCHEMBL7095378 0.76 HTR1F (0.54) HTR1FSLC6A4KDM4ELMNAHTR1A
SCHEMBL7007191 0.75 HTR1F (0.48) HTR1FSLC6A4KDM4ELMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0916670-B1 Pyrrolo-(3,2-b) pyridines and their use as 5-HT1F agonists LILLY CO ELI (US) 2003-05-14 EP disclosed
EP-0916670-A2 Pyrrolo-(3,2-b) pyridines and their use as 5-HT1F agonists ELI LILLY AND COMPANY (US) 1999-05-19 EP disclosed
US-5905084-A 5-SUBSTITUTED-3-(PIPERIDIN-4-YL)- AND -3-(1,2,3,6-TETRAHYDROPYRIDIN-4-YL)PYRROLO(3,2-B)PYRIDINES; SIDE EFFECT REDUCTION; NERVOUS SYTEM AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY (US) 1999-05-18 US disclosed