SCHEMBL7969679

SCHEMBL7969679

CC(C)(C)Oc1cccc2sc(C3CCNCC3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 4/20 0.39
HTR2C P28335 3/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
JUND P17535 1/20 0.36
FOSB P53539 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 4/20 0.36
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 3/20 0.36
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
TSHR P16473 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
SCHEMBL7963421 0.79 MEN1 (0.60) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL28216138 0.79 KMT2A (0.60) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL6172529 0.76 ALDH1A1 (0.58) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL7964862 0.73 JUND (0.39) MEN1KMT2AHTR2CJUNDFOSB
SCHEMBL7965941 0.73 PARP1 (0.54) ALDH1A1HTR2CMAPTJUNDFOSB
SCHEMBL18364916 0.72 ALDH1A1 (0.49) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL7970948 0.71 MEN1 (0.41) MEN1KMT2ARAB9ANPC1HTR2C
SCHEMBL2710382 0.69 KMT2A (1.00) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL18364919 0.69 ALDH1A1 (0.49) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL7965946 0.68 CDK1 (0.40) MEN1KMT2AHTR2CJUNDFOSB

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