SCHEMBL22811997

SCHEMBL22811997

CN1CC2CC(C1)N2Cc1ccc(F)nc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
RET P07949 2/20 0.40
TLR7 Q9NYK1 2/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL23126262 0.86 CYP11B1 (0.40) CYP11B1CYP11B2CHRNB2CHRNA4RET
SCHEMBL20148645 0.85 RET (0.42) CYP11B1CYP11B2CHRNB2CHRNA4RET
SCHEMBL20070424 0.85 CYP11B1 (0.40) CYP11B1CYP11B2CHRNB2CHRNA4RET
SCHEMBL22812025 0.84 ALDH1A1 (0.48) CHRNB2CHRNA4CHRNA3CHRNA7RET
SCHEMBL22031240 0.84 RET (0.43) CHRNB2CHRNA4RETTLR7
SCHEMBL21158871 0.82 CYP11B1 (0.38) CYP11B1CYP11B2CHRNB2CHRNA4RET
SCHEMBL20070774 0.82 RET (0.36) RETTLR7
SCHEMBL22811902 0.82 PREP (0.43) RETKDM1AMAOAMAOBGRIN1
SCHEMBL22030585 0.81 RET (0.46) RETTLR7
SCHEMBL22031262 0.80 RET (0.42) RETTLR7

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
EP-3753939-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS Array Biopharma Inc. (US) 2020-12-23 EP disclosed