SCHEMBL21990818

SCHEMBL21990818

CN1CCC2(CCN(C)C(=O)C2)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.42
CYP11B2 P19099 4/20 0.42
CRBN Q96SW2 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP3A4 P08684 5/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 1/20 0.36
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
USP2 O75604 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
SCHEMBL27046552 0.90 CYP11B1 (0.43) CYP11B1CYP11B2CRBNCHRM2CHRM3
SCHEMBL12832226 0.88 CYP11B1 (0.46) CYP11B1CYP11B2CRBNCHRM2CHRM3
SCHEMBL21557329 0.88 CHRM2 (0.42) CYP11B1CYP11B2CRBNCHRM2CHRM3
SCHEMBL1753879 0.86 CYP11B1 (0.50) CYP11B1CYP11B2CRBNCHRM2CHRM3
SCHEMBL16189946 0.83 BRD4 (0.41) CYP11B1CYP11B2CRBNCHRM2CHRM3
SCHEMBL18820444 0.78 TSHR (0.44) CYP11B1CYP11B2CRBNCHRM2CHRM3
SCHEMBL16189944 0.76
SCHEMBL23747695 0.76 CYP11B1 (0.36) CYP11B1CYP11B2CRBNBRD4BRD2
SCHEMBL3477441 0.76 CYP11B1 (0.40) CYP11B1CYP11B2CRBNCHRM2CHRM3
SCHEMBL18820454 0.75 CYP11B1 (0.40) CYP11B1CYP11B2CRBNCYP3A4CYP2D6

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-4310084-A1 PYRIDOPYRIMIDINE-BASED COMPOUND AND APPLICATION THEREOF Jinan University (CN) 2024-01-24 EP disclosed
EP-3172214-B1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE DERIVATIVES AS CDK INHIBITORS AND USES THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2020-05-13 EP disclosed