SCHEMBL18203530

SCHEMBL18203530

CCCCCCCCCCCCCCCCCCC1CN(CCN)C(CCCCCCCCCCCCCCCCC)=N1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 8/20 0.33
NOS2 P35228 8/20 0.33
HTR2A P28223 1/20 0.33
GBA1 P04062 1/20 0.32
NOS3 P29474 3/20 0.32
SCN2A Q99250 2/20 0.32
SPHK1 Q9NYA1 1/20 0.31
GNAI3 P08754 1/20 0.30
GNAO1 P09471 1/20 0.30
GNAI1 P63096 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL11154813 0.90 HTR2A (0.33) HTR2AGBA1SPHK1GNAI3GNAO1
Hydrochloric Acid SCHEMBL27961994 0.88 GBA1 (0.36) NOS1NOS2GBA1NOS3SCN2A
SCHEMBL18203531 0.74 SCN2A (0.34) NOS1NOS2HTR2ANOS3SCN2A
SCHEMBL26128200 0.74 ALOX5 (0.40) PDE3A
SCHEMBL28172337 0.72 NOS3 (0.33) NOS1NOS2NOS3
SCHEMBL11648945 0.71 NOS1 (0.37) NOS1NOS2NOS3SCN2A
SCHEMBL26129992 0.70 ALOX5 (0.35) GBA1
SCHEMBL27468201 0.70 S1PR1 (0.36) GBA1
SCHEMBL26130539 0.70 ALOX5 (0.35) GBA1
SCHEMBL26127368 0.70 ALOX5 (0.35) GBA1

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
EP-3090726-B1 COSMETIC COMPOSITION COMPRISING A COMBINATION OF ACTIVE SUBSTANCES THIOCYN GMBH (DE) 2019-05-29 EP disclosed
EP-3090727-B1 HAIR GROWTH COMPOSITION THIOCYN GMBH (DE) 2019-04-24 EP disclosed
EP-3090727-A1 HAIR GROWTH COMPOSITION Thiocyn GmbH (DE) 2016-11-09 EP disclosed