SCHEMBL26012638

SCHEMBL26012638

Cc1ccc2c(c1)C1(CCN(Cc3cnn(-c4ccccc4)c3)CC1)OC2C#N

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.56
▸ DRD4 P21917 9/20 0.47
▸ DRD2 P14416 8/20 0.47
▸ DRD3 P35462 8/20 0.47
▸ MAPK1 P28482 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HTR2C P28335 1/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ HTR1A P08908 2/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL25355453 0.90 SIGMAR1 (0.59) SIGMAR1DRD4DRD2DRD3MAPK1
SCHEMBL26012503 0.90 SIGMAR1 (0.59) SIGMAR1DRD4DRD2DRD3MAPK1
SCHEMBL26012637 0.87 SIGMAR1 (0.54) SIGMAR1DRD4DRD2DRD3MAPK1
SCHEMBL25358567 0.87 SIGMAR1 (0.54) SIGMAR1DRD4DRD2DRD3MEN1
SCHEMBL26012261 0.85 DRD4 (0.48) DRD4DRD2DRD3MAPK1NPSR1
SCHEMBL26004214 0.83 SIGMAR1 (0.49) SIGMAR1DRD4DRD2DRD3MAPK1
SCHEMBL26013229 0.82 SIGMAR1 (0.49) SIGMAR1DRD4DRD2DRD3MAPK1
SCHEMBL25358292 0.82 SIGMAR1 (0.49) SIGMAR1DRD4DRD2DRD3MAPK1
SCHEMBL26004216 0.81 MEN1 (0.48) SIGMAR1DRD4DRD2DRD3MAPK1
SCHEMBL26012919 0.81 SIGMAR1 (0.51) SIGMAR1DRD4DRD2DRD3MAPK1

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-2023154314-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 — — WO disclosed
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