SCHEMBL7964862

SCHEMBL7964862

CC(C)(C)Oc1cccc2snc(C3CCNCC3)c12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JUND P17535 1/20 0.39
FOSB P53539 1/20 0.39
HTR2C P28335 5/20 0.38
HTR1A P08908 10/20 0.36
SLC6A2 P23975 10/20 0.36
SLC6A4 P31645 10/20 0.36
SLC6A3 Q01959 8/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 1/20 0.35
HTR6 P50406 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
SCHEMBL7966598 0.80 HTR2C (0.46) JUNDFOSBHTR2CHTR1ASLC6A2
SCHEMBL7967919 0.77 JUND (0.39) JUNDFOSBHTR2CHTR1ASLC6A2
SCHEMBL6220554 0.77 HTR1A (0.40) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL7967131 0.76 JUND (0.38) JUNDFOSBHTR2CHTR1ASLC6A2
SCHEMBL7969679 0.73 MEN1 (0.52) JUNDFOSBHTR2CHTR1ASLC6A2
SCHEMBL1545124 0.70 KDM4E (0.49) HTR2CHTR1AMEN1KMT2AKCNH2
Hydrochloric Acid SCHEMBL1838069 0.69 KDM4E (0.51) HTR2CHTR1AMEN1KMT2AKCNH2
SCHEMBL7965941 0.67 PARP1 (0.54) JUNDFOSBHTR2C
SCHEMBL7965946 0.67 CDK1 (0.40) JUNDFOSBHTR2CHTR1ASLC6A2
SCHEMBL7970948 0.67 MEN1 (0.41) 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