SCHEMBL31171097

SCHEMBL31171097

Cc1nn2c(C(C)C)c(C(=O)N[C@H]3CCc4ccccc43)cnc2c1-c1cc(Cl)c(F)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.48
▸ TAS1R3 Q7RTX0 7/20 0.43
▸ TAS1R1 Q7RTX1 7/20 0.43
▸ TAS1R2 Q8TE23 6/20 0.43
▸ KCNA5 P22460 1/20 0.42
▸ SPR P35270 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.39
▸ CHRM4 P08173 2/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39

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
SCHEMBL31171093 0.89 PDE2A (0.48) PDE2ATAS1R3TAS1R1TAS1R2SPR
SCHEMBL20768156 0.89 PDE2A (0.48) PDE2ATAS1R3TAS1R1TAS1R2SPR
SCHEMBL20768158 0.89 PDE2A (0.48) PDE2ATAS1R3TAS1R1TAS1R2SPR
SCHEMBL22281222 0.89 MAPK1 (0.37) PDE2ALMNA
SCHEMBL22281280 0.88 PDE2A (0.47) PDE2ATAS1R3TAS1R1TAS1R2KCNA5
SCHEMBL22281383 0.86 PDE2A (0.47) PDE2ATAS1R3TAS1R1TAS1R2KCNA5
SCHEMBL22281384 0.86 PDE2A (0.48) PDE2ATAS1R3TAS1R1TAS1R2KCNA5
SCHEMBL22281279 0.84 TAS1R3 (0.51) PDE2ATAS1R3TAS1R1TAS1R2LMNA
SCHEMBL20768127 0.83 PDE2A (0.55) PDE2ATAS1R3TAS1R1TAS1R2KCNA5
SCHEMBL19463255 0.83 PDE2A (0.55) PDE2ATAS1R3TAS1R1TAS1R2KCNA5

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-2024213752-A1 LONG-TERM PREVENTION AND/OR TREATMENT OF A DISEASE BY SLO-1 INHIBITORS ELANCO ANIMAL HEALTH GMBH (DE) 2024-10-17 — — WO disclosed
Send feedback