SCHEMBL6553944

SCHEMBL6553944

CCCCCCCCCCCCOCCC1CNCCN1CCOCCCCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
GNAO1 P09471 4/20 0.40
GNAI3 P08754 3/20 0.38
GNAI1 P63096 3/20 0.38
GBA2 Q9HCG7 13/20 0.36
GBA1 P04062 8/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36

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
SCHEMBL28011845 0.79 TAAR1 (0.52) TAAR1GNAO1GNAI3GNAI1GBA1
SCHEMBL7022097 0.79 TAAR1 (0.52) TAAR1GNAO1GNAI3GNAI1GBA1
SCHEMBL6439309 0.79 TAAR1 (0.52) TAAR1GNAO1GNAI3GNAI1GBA1
SCHEMBL11015512 0.79 TAAR1 (0.52) TAAR1GNAO1GNAI3GNAI1GBA1
SCHEMBL6566400 0.79 TAAR1 (0.52) TAAR1GNAO1GNAI3GNAI1GBA1
SCHEMBL27832364 0.79 TAAR1 (0.52) TAAR1GNAO1GNAI3GNAI1GBA1
SCHEMBL27911335 0.79 TAAR1 (0.54) TAAR1GNAO1GNAI3GNAI1S1PR4
Iodide SCHEMBL28818073 0.78 TAAR1 (0.51) TAAR1GNAO1GNAI3GNAI1GBA1
SCHEMBL4446755 0.77 TAAR1 (0.53) TAAR1GNAO1GNAI3GNAI1GBA1
SCHEMBL250854 0.77 TAAR1 (0.53) TAAR1GNAO1GNAI3GNAI1GBA1

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
EP-0929536-B1 PIPERAZINE BASED CYTOFECTINS VICAL INC (US) 2004-12-22 EP disclosed