SCHEMBL28313690

SCHEMBL28313690

CCCCN1CCC(CN2CCNC(C)C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 8/20 0.46
GNAI3 P08754 7/20 0.41
GNAI1 P63096 7/20 0.41
KCNH2 Q12809 1/20 0.38
BIRC2 Q13490 1/20 0.37
EPHX1 P07099 1/20 0.34
EPHX2 P34913 1/20 0.34
GLB1 P16278 1/20 0.34
ACHE P22303 1/20 0.34
GBA1 P04062 1/20 0.34
CHRM1 P11229 1/20 0.33

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
SCHEMBL3105772 0.84 BIRC2 (0.45) GNAO1GNAI3GNAI1BIRC2GLB1
SCHEMBL29509310 0.84 BIRC2 (0.45) GNAO1GNAI3GNAI1BIRC2GLB1
SCHEMBL22569563 0.82 BIRC2 (0.46) KCNH2BIRC2ACHEGBA1CHRM1
SCHEMBL7324387 0.82 BIRC2 (0.46) KCNH2BIRC2ACHEGBA1CHRM1
Hydrochloric Acid SCHEMBL21246945 0.80 BIRC2 (0.45) KCNH2BIRC2ACHEGBA1CHRM1
Hydrochloric Acid SCHEMBL21246944 0.80 BIRC2 (0.45) KCNH2BIRC2ACHEGBA1CHRM1
SCHEMBL3099250 0.79 EBP (0.47) GNAO1GNAI3GNAI1BIRC2
SCHEMBL3100830 0.77 EBP (0.50) GNAO1GNAI3GNAI1BIRC2
SCHEMBL4274108 0.77 EBP (0.50) GNAO1GNAI3GNAI1BIRC2
SCHEMBL31683714 0.77 ACHE (0.53) BIRC2ACHEGBA1CHRM1

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