SCHEMBL7967239

SCHEMBL7967239

CCOc1cccc2nc(C3CCNCC3)sc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
IKBKB O14920 1/20 0.40
SLC6A2 P23975 5/20 0.38
SLC6A4 P31645 5/20 0.38
HTR1A P08908 4/20 0.38
SLC6A3 Q01959 3/20 0.38
HTR2C P28335 3/20 0.37
HTR2A P28223 1/20 0.37
ALK Q9UM73 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HTR6 P50406 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL7966170 0.77 HSD17B10 (0.43) IKBKBSLC6A2SLC6A4HTR1ASLC6A3
Hydrochloric Acid SCHEMBL28834350 0.75 MEN1 (0.58) MEN1KMT2ANPC1RAB9AIKBKB
SCHEMBL7969690 0.73 MEN1 (0.56) MEN1KMT2ANPC1RAB9ASLC6A2
SCHEMBL7963691 0.72 JUND (0.41) IKBKBSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL7966615 0.72 LMNA (0.46) IKBKBSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL5038688 0.71 ALDH1A1 (0.48) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL9306062 0.71 ALDH1A1 (0.59) MEN1KMT2ANPC1ALDH1A1HSD17B10
SCHEMBL30967515 0.71 ALDH1A1 (0.48) MEN1KMT2ANPC1ALDH1A1HSD17B10
SCHEMBL7966174 0.71 PARP1 (0.54) IKBKBHSD17B10
SCHEMBL7057168 0.70 HSP90AA1 (0.54) MEN1KMT2ANPC1ALDH1A1HSD17B10

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