SCHEMBL7967919

SCHEMBL7967919

CC(C)(C)Oc1cccc2[nH]nc(C3CCNCC3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUND P17535 1/20 0.39
FOSB P53539 1/20 0.39
HTR2C P28335 5/20 0.38
HTR2A P28223 1/20 0.38
HTR1A P08908 9/20 0.36
SLC6A2 P23975 9/20 0.36
SLC6A4 P31645 9/20 0.36
SLC6A3 Q01959 6/20 0.36
KCNH2 Q12809 1/20 0.35
HTR6 P50406 1/20 0.34
CDC7 O00311 1/20 0.33
ROCK2 O75116 1/20 0.33
MAP4K4 O95819 1/20 0.33
PIM1 P11309 1/20 0.33
PRKACA P17612 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
HIPK2 Q9H2X6 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL7964862 0.77 JUND (0.39) JUNDFOSBHTR2CHTR1ASLC6A2
SCHEMBL7967131 0.76 JUND (0.38) JUNDFOSBHTR2CHTR1ASLC6A2
SCHEMBL7106083 0.76 JAK2 (0.44) JUNDFOSBHTR2CHTR2AHTR1A
SCHEMBL24330092 0.75 HTR1A (0.41) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL7965941 0.72 PARP1 (0.54) JUNDFOSBHTR2C
Acetic Acid SCHEMBL7965027 0.72 HTR2C (0.41) HTR2C
SCHEMBL26811323 0.71 HTR2A (0.50) JUNDFOSBHTR2CHTR2A
SCHEMBL1545976 0.68 HTR2C (0.50) HTR2CHTR2ASLC6A4KCNH2IRAK4
SCHEMBL29869220 0.68 HTR2C (0.50) HTR2CHTR2ASLC6A4KCNH2IRAK4
SCHEMBL24329831 0.67 JUND (0.52) JUNDFOSBHTR2CHTR1ASLC6A2

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