SCHEMBL11517664

SCHEMBL11517664

CCC1NCCc2ncn(CC)c21

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.31
HTR2C P28335 3/20 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
SCHEMBL11516209 0.83 HTR2A (0.31) HTR2AHTR2C
SCHEMBL11485113 0.75 HTR2A (0.31) HTR2AHTR2C
SCHEMBL14159530 0.67 HTR2A (0.33) HTR2AHTR2C
SCHEMBL12082140 0.66 HTR2A (0.38) HTR2AHTR2C
SCHEMBL31569143 0.64 PRCP (0.39) HTR2AHTR2C
SCHEMBL4003644 0.62 RAB9A (0.51) HTR2AHTR2C
Hydrochloric Acid SCHEMBL7532420 0.61 RAB9A (0.50) HTR2AHTR2C
SCHEMBL11516640 0.61 TRPM8 (0.34)
SCHEMBL23161482 0.60 PDE3B (0.33)
SCHEMBL21883969 0.59 ABCB1 (0.45) HTR2AHTR2C

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