SCHEMBL21178192

SCHEMBL21178192

CC1(C)C[C@H](N)CN(C(=O)O)C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.31
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
SCHEMBL22191420 0.81 CHRNB2 (0.32) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL21811377 0.79
SCHEMBL21811314 0.78
SCHEMBL25401113 0.77 DPP4 (0.34) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19408866 0.77 DPP4 (0.34) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL27171881 0.76 NR1H2 (0.41) SMN1; SMN2
SCHEMBL21811733 0.76 MMP2 (0.30)
SCHEMBL21811369 0.73
SCHEMBL12492566 0.72 SMN1; SMN2 (0.32) SMN1; SMN2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL23499280 0.72 SMN1; SMN2 (0.34) SMN1; SMN2CHRNB2CHRNA3CHRNA4CHRNB3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3740207-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2020-11-25 EP disclosed
WO-2019143719-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 WO disclosed