SCHEMBL11277787

SCHEMBL11277787

CCCCc1ccc2c(c1)C(C)SCCCN2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.39
NISCH Q9Y2I1 1/20 0.35
HTR1D P28221 1/20 0.35
SKP2 Q13309 1/20 0.34
HTR2A P28223 2/20 0.33
DRD2 P14416 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
KIF11 P52732 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP4Z1 Q86W10 1/20 0.31
CYP4F11 Q9HBI6 1/20 0.31
CYP4F12 Q9HCS2 1/20 0.31

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
SCHEMBL11264145 0.92 KIF11 (0.37) SIGMAR1NISCHHTR1DHTR2AHTR2C
Hydrochloric Acid SCHEMBL11267326 0.91 KIF11 (0.37) SIGMAR1NISCHHTR1DHTR2CKIF11
SCHEMBL11275856 0.86 KIF11 (0.35) NISCHKIF11
Hydrochloric Acid SCHEMBL11264015 0.85 KIF11 (0.34) KIF11
SCHEMBL11275332 0.76 MAPT (0.36) HTR2CKIF11CYP1A2CYP3A4CYP2C19
SCHEMBL11263563 0.75 HTR2C (0.39) HTR2ASLC6A2HTR2CSLC6A4CYP1A2
Hydrochloric Acid SCHEMBL11273176 0.75 MAPT (0.35) HTR2CKIF11CYP1A2CYP3A4CYP2C19
SCHEMBL11260229 0.75 HTR2A (0.39) HTR2AHTR2C
SCHEMBL11262097 0.75 HTR2C (0.39) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL10931740 0.74 PARP1 (0.41)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4328238-A ANTIDEPRESSANTS, ANTISECRETORY, AND ANTIULCER AGENTS SANKYO COMPANY LIMITED (JP) 1982-05-04 US disclosed