SCHEMBL9601199

SCHEMBL9601199

[CH2]CN1CCNCC1CCCCCC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
GNAO1 P09471 6/20 0.36
GNAI3 P08754 5/20 0.36
GNAI1 P63096 5/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
S1PR5 Q9H228 2/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
SOD3 P08294 2/20 0.33
GBA1 P04062 3/20 0.32

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
SCHEMBL293295 0.88 TAAR1 (0.49) TAAR1GNAO1GNAI3GNAI1CYP2D6
SCHEMBL15284196 0.87 TAAR1 (0.47) TAAR1GNAO1GNAI3GNAI1CYP2D6
SCHEMBL511017 0.86 TAAR1 (0.40) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL293441 0.86 TAAR1 (0.50) TAAR1GNAO1GNAI3GNAI1CYP2D6
SCHEMBL6566400 0.85 TAAR1 (0.52) TAAR1GNAO1GNAI3GNAI1CYP2D6
SCHEMBL27832364 0.85 TAAR1 (0.52) TAAR1GNAO1GNAI3GNAI1CYP2D6
SCHEMBL28011845 0.85 TAAR1 (0.52) TAAR1GNAO1GNAI3GNAI1CYP2D6
SCHEMBL6439309 0.85 TAAR1 (0.52) TAAR1GNAO1GNAI3GNAI1CYP2D6
SCHEMBL7022097 0.85 TAAR1 (0.52) TAAR1GNAO1GNAI3GNAI1CYP2D6
Hydrochloric Acid SCHEMBL8368109 0.85 TAAR1 (0.46) TAAR1GNAO1GNAI3GNAI1CYP2D6

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-0215435-B1 2-OXA-ISOCEPHEM COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESSES FOR PREPARING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
US-4831026-A ANTIBIOTICS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US disclosed
EP-0215435-A1 2-Oxa-isocephem compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-03-25 EP disclosed