SCHEMBL7967002

SCHEMBL7967002

CC(C)c1ccc2[nH]nc(C3CCNCC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 18/20 0.41
TLR8 Q9NR97 18/20 0.41
TLR7 Q9NYK1 18/20 0.41
HTR2A P28223 1/20 0.40
GSK3B P49841 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
SCHEMBL18547931 0.82 CNR1 (0.47)
SCHEMBL24330059 0.78 HTR2A (0.47) HTR2AGSK3B
SCHEMBL14338763 0.78 PDPK1 (0.50) TLR9TLR8TLR7HTR2A
Hydrochloric Acid SCHEMBL7955360 0.77 HTR2A (0.46) HTR2AGSK3B
SCHEMBL7966944 0.77 TLR9 (0.36) TLR9TLR8TLR7HTR2A
SCHEMBL29869220 0.74 HTR2C (0.50) HTR2A
SCHEMBL1545976 0.74 HTR2C (0.50) HTR2A
SCHEMBL7966309 0.74 MAPK14 (0.40) TLR9TLR8TLR7HTR2A
SCHEMBL24148934 0.71 MAP2K4 (0.47)
SCHEMBL12120600 0.71 HTR1D (0.41) HTR2AGSK3B

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
US-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
WO-1999065487-A1 INHIBITORS OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP disclosed