SCHEMBL7966941

SCHEMBL7966941

FC(F)(F)c1cccc2ccc(C3CCNCC3)nc12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.51
SLC6A2 P23975 9/20 0.43
SLC6A4 P31645 9/20 0.43
SLC6A3 Q01959 3/20 0.43
HTR1A P08908 1/20 0.43
NCF1 P14598 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
FLT4 P35916 1/20 0.36

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
Hydrochloric Acid SCHEMBL28834336 0.79 HTR2C (0.43) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL19837031 0.79 CHRNB2 (0.45) HTR2CNCF1
SCHEMBL29962079 0.79 CHRNB2 (0.45) HTR2CNCF1
SCHEMBL28879111 0.79 CHRNB2 (0.45) HTR2CNCF1
SCHEMBL28879128 0.79 CHRNB2 (0.45) HTR2CNCF1
SCHEMBL14921519 0.78 METAP2 (0.45) NCF1TLR9TLR8TLR7KMT2A
Hydrochloric Acid SCHEMBL29862651 0.77 HTR2C (0.47) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
Hydrochloric Acid SCHEMBL5833545 0.77 METAP2 (0.44) NCF1TLR9TLR8TLR7KMT2A
Hydrochloric Acid SCHEMBL29862564 0.76 HTR2C (0.43) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
Hydrochloric Acid SCHEMBL28834029 0.76 HTR2C (0.43) HTR2CSLC6A2SLC6A4SLC6A3HTR1A

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