SCHEMBL28313628

SCHEMBL28313628

CCCCN1CCC(NC=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 8/20 0.50
GNAO1 P09471 8/20 0.50
GNAI1 P63096 8/20 0.50
EPHX1 P07099 2/20 0.46
EPHX2 P34913 2/20 0.46
ADH1B P00325 4/20 0.45
ADH1A P07327 4/20 0.45
ADH1C P00326 3/20 0.42
ADH7 P40394 2/20 0.42
ADH4 P08319 1/20 0.41

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
SCHEMBL28267489 0.95 GNAO1 (0.56) GNAI3GNAO1GNAI1EPHX1EPHX2
SCHEMBL4684725 0.84 ADH1B (0.46) GNAI3GNAO1GNAI1EPHX1EPHX2
Hydrochloric Acid SCHEMBL28625285 0.82 GNAO1 (0.55) GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL28635747 0.82 GNAO1 (0.55) GNAI3GNAO1GNAI1
SCHEMBL3954245 0.82 ADH1B (0.45) GNAI3GNAO1GNAI1EPHX1EPHX2
SCHEMBL28747657 0.81 BRD4 (0.41) GNAI3GNAO1GNAI1ADH1BADH1A
SCHEMBL1781920 0.81 ADH1B (0.52) EPHX1EPHX2ADH1BADH1AADH1C
SCHEMBL172647 0.79 ADH1B (0.40) GNAI3GNAO1GNAI1EPHX1EPHX2
SCHEMBL1307156 0.78 ADH1B (0.48) ADH1BADH1AADH1CADH7ADH4
SCHEMBL1781486 0.77 KDM1A (0.45) ADH1BADH1AADH1CADH7ADH4

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
CN-110177786-A Pyrazolo [1,5-A] pyridine compounds being substituted are as RET kinase inhibitor 阿雷生物药品公司 2019-08-27 CN disclosed