SCHEMBL11518308

SCHEMBL11518308

N=C(N)N1CCc2[nH]cnc2C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 2/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAOA P21397 1/20 0.42
SLC6A2 P23975 1/20 0.42
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.38
PMP22 Q01453 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NAMPT P43490 1/20 0.35
AKT1 P31749 2/20 0.35
F10 P00742 4/20 0.33
HTR2C P28335 1/20 0.33
ERN1 O75460 1/20 0.31
F2 P00734 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
Hydrochloric Acid SCHEMBL11518596 0.98 TMPRSS2 (0.41) TMPRSS2HTR1AADRA2ACYP2D6MAOA
SCHEMBL31595886 0.84 NAMPT (0.37) ADRA2ANAMPTAKT1HTR2C
SCHEMBL1994788 0.79 NAMPT (0.38) ADRA2ANAMPTAKT1HTR2C
SCHEMBL12662820 0.77 BAZ2B (0.43) LMNANAMPT
SCHEMBL11518591 0.77 AKT1 (0.31) AKT1HTR2C
SCHEMBL11515050 0.77 AKT1 (0.31) AKT1HTR2C
SCHEMBL11517246 0.74 NPSR1 (0.47) TMPRSS2NAMPTHTR2C
SCHEMBL11515901 0.74 MEN1 (0.43) LMNANAMPTAKT1HTR2C
SCHEMBL11515494 0.74 BAZ2B (0.43) NAMPTAKT1HTR2CF2
SCHEMBL22915890 0.72 KDM4E (0.47) NAMPTHTR2C

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-4141899-A ANTIULCER, ANTISECRETORY SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1979-02-27 US disclosed