SCHEMBL8916920

SCHEMBL8916920

CCc1sc2cc(F)ccc2c1C1CCN(CCc2sc3c(c2CC)CCN(C(C)=O)C3)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.41
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CCR3 P51677 6/20 0.38
MCHR1 Q99705 3/20 0.36
HTR2A P28223 2/20 0.36
HTR7 P34969 2/20 0.36
KCNH2 Q12809 1/20 0.36
DRD2 P14416 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
Oxalic Acid SCHEMBL8991806 0.98 CTSS (0.40) CTSSTP53GAAMAPTCCR3
SCHEMBL8917047 0.94 CTSS (0.42) CTSSCCR3MCHR1HTR2AHTR7
SCHEMBL8919136 0.93 CTSS (0.40) CTSSTP53GAAMAPTCCR3
Oxalic Acid SCHEMBL8919091 0.90 CTSS (0.43) CTSSTP53GAAMAPTCCR3
SCHEMBL8916788 0.87 CTSS (0.42) CTSSCCR3MCHR1HTR2AHTR7
SCHEMBL8916709 0.87 CTSS (0.49) CTSSTP53GAAMAPTCCR3
SCHEMBL8916426 0.86 MAPT (0.40) CTSSTP53GAAMAPTCCR3
Hydrochloric Acid SCHEMBL8920486 0.86 CTSS (0.48) CTSSTP53GAAMAPTCCR3
SCHEMBL8918401 0.86 HTR1D (0.49) CTSSTP53GAAMAPTCCR3
Hydrochloric Acid SCHEMBL8916553 0.84 CTSS (0.39) CTSSTP53GAAMAPTCCR3

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-5691330-A ANTIPSYCHOTIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-11-25 US disclosed