SCHEMBL25796604

SCHEMBL25796604

CC(C)N1CCN(c2ccc(-c3cc4c(N5CCN(CC6CCC(C#N)CC6)CC5)ccnn4c3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RET P07949 11/20 0.37
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
CYP17A1 P05093 1/20 0.35
CYP21A2 P08686 1/20 0.35
CYP11B1 P15538 1/20 0.35
MAP4K4 O95819 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
DRD4 P21917 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL25769612 0.86 DRD2 (0.39) RETDRD2DRD3
SCHEMBL19486349 0.84 RET (0.39) RET
SCHEMBL19481975 0.84 RET (0.39) RET
SCHEMBL25795649 0.81 TLR9 (0.33) RETDRD2DRD3ESR1
SCHEMBL25769267 0.80 DRD2 (0.39) RETDRD2DRD3
SCHEMBL19481952 0.79 RET (0.38) RET
SCHEMBL19486807 0.79 RET (0.38) RET
SCHEMBL25805816 0.78 RET (0.34) RET
SCHEMBL25155216 0.78 RET (0.31) RET
SCHEMBL25795817 0.78

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-3442977-B1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORP (US) 2023-06-28 EP disclosed