SCHEMBL7101106

SCHEMBL7101106

CNc1ccc2[nH]cc(C3=CCN(C(C)C)CC3)c2n1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
LMNA P02545 3/20 0.57
ALOX15 P16050 3/20 0.57
NPC1 O15118 1/20 0.57
HTT P42858 1/20 0.57
RAB9A P51151 1/20 0.57
HTR1F P30939 2/20 0.53
SLC6A4 P31645 7/20 0.40
POLB P06746 1/20 0.39
HTR1A P08908 1/20 0.39
HTR6 P50406 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL35211016 1.00 KDM4E (0.57) KDM4ELMNAALOX15NPC1HTT
SCHEMBL30909151 0.77 HTR1F (0.53) KDM4ELMNAALOX15HTR1FSLC6A4
SCHEMBL7095944 0.77 HTR1F (0.53) KDM4ELMNAALOX15HTR1FSLC6A4
SCHEMBL8457517 0.73 HTR1F (0.56) KDM4ELMNAALOX15NPC1HTT
Hydrochloric Acid SCHEMBL11316658 0.73 KDM4E (1.00) KDM4ELMNAALOX15NPC1HTT
SCHEMBL11320474 0.73 KDM4E (1.00) KDM4ELMNAALOX15NPC1HTT
SCHEMBL7012793 0.71 HTR1F (0.76) KDM4ELMNAALOX15HTR1FSLC6A4
SCHEMBL7011728 0.70 HTR1F (0.71) KDM4ELMNAALOX15HTTHTR1F
SCHEMBL7010488 0.70 SLC6A4 (0.47) KDM4ELMNAALOX15HTR1FSLC6A4
SCHEMBL7008686 0.69 HTR1F (1.00) KDM4ELMNAALOX15HTR1FHTR1A

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-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