SCHEMBL7955565

SCHEMBL7955565

CC(C)(C)Oc1cccc2oc(C3CCNCC3)cc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
HTR2C P28335 7/20 0.38
HTR1A P08908 3/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HTR6 P50406 5/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
JUND P17535 1/20 0.34
FOSB P53539 1/20 0.34

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
SCHEMBL7967131 0.71 JUND (0.38) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL7967205 0.70 ALK (0.38) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL7970948 0.69 MEN1 (0.41) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL10901531 0.69 BCHE (0.66) BCHEACHEMAOBCA12CA1
SCHEMBL721717 0.68 ACHE (1.00) BCHEACHESLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL9937223 0.67 ACHE (0.97) BCHEACHEHTR2CSLC6A2SLC6A4
SCHEMBL10906155 0.67 MAOA (0.56) BCHEACHEHTR2CSLC6A2SLC6A4
SCHEMBL7967581 0.67 GBA1 (0.35)
SCHEMBL10902985 0.65 ACHE (0.56) BCHEACHEHTR2CMAOAMAOB
SCHEMBL16283608 0.64 CYP2A6 (0.68) MAOACA12CA1CA2CA9

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