SCHEMBL7954724

SCHEMBL7954724

Fc1ccc2snc(C3CCNCC3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
SLC6A4 P31645 10/20 0.39
SLC6A2 P23975 9/20 0.39
SLC6A3 Q01959 8/20 0.39
HTR1A P08908 7/20 0.38
MPO P05164 1/20 0.37
HTR6 P50406 2/20 0.37
BRD3 Q15059 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK13 O15264 1/20 0.35
RAF1 P04049 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 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
SCHEMBL1545776 0.88 CYP1A2 (0.41) MKNK1MKNK2SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL6221807 0.87 CYP1A2 (0.41) MKNK1MKNK2SLC6A4SLC6A2SLC6A3
SCHEMBL7966944 0.79 TLR9 (0.36) SLC6A4SLC6A2SLC6A3NPC1RAB9A
SCHEMBL1545124 0.78 KDM4E (0.49) HTR1A
Hydrochloric Acid SCHEMBL1838069 0.77 KDM4E (0.51) HTR1A
SCHEMBL24330059 0.75 HTR2A (0.47) MKNK1MKNK2SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL7955360 0.73 HTR2A (0.46) MKNK1MKNK2SLC6A4SLC6A2SLC6A3
SCHEMBL7955068 0.73 GRM4 (0.40) NPC1RAB9A
SCHEMBL8678218 0.72 HTR1D (0.37)
SCHEMBL8467925 0.72 HTR1D (0.42) SLC6A4NPC1RAB9A

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