SCHEMBL6700161

SCHEMBL6700161

CCCCCN1CCNCC1CCN

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
GNAO1 P09471 8/20 0.37
S1PR1 P21453 3/20 0.37
S1PR3 Q99500 3/20 0.37
S1PR5 Q9H228 3/20 0.37
S1PR4 O95977 1/20 0.37
GNAI3 P08754 7/20 0.36
GNAI1 P63096 7/20 0.36
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GBA1 P04062 1/20 0.31
ZDHHC9 Q9Y397 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
SCHEMBL4944745 0.91 TAAR1 (0.48) TAAR1GNAO1S1PR1S1PR3S1PR5
SCHEMBL250854 0.89 TAAR1 (0.53) TAAR1GNAO1S1PR1S1PR3S1PR5
SCHEMBL4446755 0.89 TAAR1 (0.53) TAAR1GNAO1S1PR1S1PR3S1PR5
SCHEMBL6566400 0.87 TAAR1 (0.52) TAAR1GNAO1S1PR1S1PR3S1PR5
SCHEMBL27832364 0.87 TAAR1 (0.52) TAAR1GNAO1S1PR1S1PR3S1PR5
SCHEMBL6439309 0.87 TAAR1 (0.52) TAAR1GNAO1S1PR1S1PR3S1PR5
SCHEMBL11015512 0.87 TAAR1 (0.52) TAAR1GNAO1S1PR1S1PR3S1PR5
SCHEMBL28011845 0.87 TAAR1 (0.52) TAAR1GNAO1S1PR1S1PR3S1PR5
SCHEMBL7022097 0.87 TAAR1 (0.52) TAAR1GNAO1S1PR1S1PR3S1PR5
SCHEMBL28806944 0.87 TAAR1 (0.39) TAAR1

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
JP-2004244376-A METHOD FOR PRODUCING AMINOETHYLARYLPIPERAZINE DERIVATIVE NISSAN CHEM IND LTD 2004-09-02 JP disclosed