SCHEMBL11596175

SCHEMBL11596175

NCCCC(CN)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.65
HRH1 P35367 2/20 0.65
GABBR2 O75899 2/20 0.52
GABBR1 Q9UBS5 2/20 0.52
TAAR1 Q96RJ0 4/20 0.50
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAOA P21397 1/20 0.40
SLC6A2 P23975 1/20 0.39

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
SCHEMBL3906707 0.87 HRH1 (0.65) HTR2AHRH1GABBR2GABBR1TAAR1
SCHEMBL9137323 0.86 HRH1 (0.62) HTR2AHRH1GABBR2GABBR1TAAR1
Hydrochloric Acid SCHEMBL6888113 0.84 HRH1 (0.60) HTR2AHRH1GABBR2GABBR1TAAR1
Hydrochloric Acid SCHEMBL4696708 0.84 HRH1 (0.60) HTR2AHRH1GABBR2GABBR1TAAR1
SCHEMBL3428535 0.83 HRH1 (0.61) HTR2AHRH1GABBR2GABBR1TAAR1
SCHEMBL4948330 0.83 HTR2A (0.49) HTR2AHRH1GABBR2GABBR1TAAR1
SCHEMBL6543317 0.82 HTR2A (0.59) HTR2AHRH1GABBR2GABBR1TAAR1
SCHEMBL28873446 0.82 HTR2A (0.51) HTR2AHRH1GABBR2GABBR1TAAR1
SCHEMBL9819816 0.82 HRH1 (0.59) HTR2AHRH1MAOA
SCHEMBL3389035 0.82 HTR2A (0.59) HTR2AHRH1GABBR2GABBR1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4115370-A CROSSLINKING WITH VINYL MONOMERS SNIA VISCOSA SOCIETA' NAZIONALE INDUSTRIA APPLICAZIONI VISCOSA S.P.A. (IT) 1978-09-19 US claimed
US-4115370-A CROSSLINKING WITH VINYL MONOMERS SNIA VISCOSA SOCIETA' NAZIONALE INDUSTRIA APPLICAZIONI VISCOSA S.P.A. (IT) 1978-09-19 US disclosed