SCHEMBL7967657

SCHEMBL7967657

CCOc1cccc2c(C3CCNCC3)ccnc12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.44
SLC6A4 P31645 10/20 0.44
HTR1A P08908 9/20 0.44
SLC6A3 Q01959 6/20 0.44
HTR2C P28335 2/20 0.43
IKBKB O14920 1/20 0.43
HTR6 P50406 6/20 0.42

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
SCHEMBL24716111 0.87 HTR2C (0.56) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL30626631 0.87 HTR2C (0.56) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL7965386 0.77 HTR2C (0.43) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL5669748 0.76 SLC6A2 (0.68) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL25256999 0.74 HTR1A (0.51) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL24715878 0.73 HTR1A (0.50) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL7966174 0.72 PARP1 (0.54) IKBKB
SCHEMBL4014492 0.72 SLC6A2 (0.77) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL19297190 0.71 HTR1A (0.51) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL30735991 0.71 HTR1A (0.51) SLC6A2SLC6A4HTR1ASLC6A3HTR2C

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