SCHEMBL20070748

SCHEMBL20070748

CCN1CC2CC(C1)N2C(=O)CC1CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
NAMPT P43490 1/20 0.35
HSD11B1 P28845 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RET P07949 1/20 0.31
CHRM1 P11229 1/20 0.30
JAK3 P52333 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRNB3 Q05901 1/20 0.30
CHRNA6 Q15825 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
SCHEMBL23555338 0.89 RET (0.35) EPHX1HSD11B1RETCHRM1JAK3
SCHEMBL20154522 0.82 NAMPT (0.37) NAMPTRETJAK3
SCHEMBL22812265 0.78 NAMPT (0.34) NAMPTRET
SCHEMBL20149635 0.78 ATM (0.35) NAMPTRET
SCHEMBL20148736 0.78 NAMPT (0.34) NAMPTRET
SCHEMBL16456476 0.76 SMN1; SMN2 (0.37) HSD11B1SMN1; SMN2CHRNB2CHRNA3CHRNA4
SCHEMBL22030750 0.75 RET (0.33) RET
SCHEMBL14211238 0.73 SMYD3 (0.36) NAMPTCHRNB2CHRNA3CHRNA4
SCHEMBL20153189 0.72 RET (0.36) RETJAK3
SCHEMBL21159097 0.71 CHRNB2 (0.39) HSD11B1SMN1; SMN2CHRM1CHRNB2CHRNA3

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
WO-2018071447-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed