SCHEMBL7965386

SCHEMBL7965386

CCOc1cccc2c(C3CCNCC3)cncc12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.43
SLC6A2 P23975 12/20 0.43
SLC6A4 P31645 12/20 0.43
IKBKB O14920 1/20 0.43
HTR1A P08908 11/20 0.42
SLC6A3 Q01959 8/20 0.42
HTR6 P50406 5/20 0.41

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
SCHEMBL7967657 0.77 SLC6A2 (0.44) HTR2CSLC6A2SLC6A4IKBKBHTR1A
SCHEMBL5669748 0.76 SLC6A2 (0.68) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL7967857 0.71 PDE5A (0.45) HTR2CSLC6A2SLC6A4IKBKBHTR1A
SCHEMBL7963691 0.71 JUND (0.41) HTR2CSLC6A2SLC6A4IKBKBHTR1A
Hydrochloric Acid SCHEMBL15141019 0.70 SLC6A2 (0.54) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL30735834 0.70 HTR2C (0.49) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL7963921 0.70 HTR2C (0.49) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL5937352 0.70 HTR6 (0.48) HTR2CSLC6A2SLC6A4IKBKBHTR1A
SCHEMBL6709469 0.70 SLC6A2 (0.59) HTR2CSLC6A2SLC6A4IKBKBHTR1A
SCHEMBL6709239 0.69 HTR6 (0.44) HTR2CSLC6A2SLC6A4IKBKBHTR1A

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