SCHEMBL7967131

SCHEMBL7967131

CC(C)(C)Oc1cccc2onc(C3CCNCC3)c12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JUND P17535 1/20 0.38
FOSB P53539 1/20 0.38
HTR2C P28335 3/20 0.37
HTR1A P08908 5/20 0.36
SLC6A2 P23975 5/20 0.36
SLC6A4 P31645 5/20 0.36
SLC6A3 Q01959 4/20 0.36
HTR6 P50406 2/20 0.34
KCNA5 P22460 1/20 0.34
KCNH2 Q12809 1/20 0.34
HTR4 Q13639 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
SCHEMBL7966223 0.79 HTR2C (0.46) JUNDFOSBHTR2CHTR1ASLC6A2
SCHEMBL7967919 0.76 JUND (0.39) JUNDFOSBHTR2CHTR1ASLC6A2
SCHEMBL7964862 0.76 JUND (0.39) JUNDFOSBHTR2CHTR1ASLC6A2
SCHEMBL6665906 0.76 HTR1A (0.44) HTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3703851 0.75 HTR1A (0.44) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL7955565 0.71 BCHE (0.51) JUNDFOSBHTR2CHTR1ASLC6A2
SCHEMBL373467 0.69 BCHE (0.44) HTR2CHTR1A
SCHEMBL5995383 0.68 BCHE (0.43) HTR1A
Hydrochloric Acid SCHEMBL1545403 0.68 BCHE (0.43) HTR2CHTR1A
SCHEMBL13201094 0.68 JUND (0.51) 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