SCHEMBL26013084

SCHEMBL26013084

CCc1ccc2c(c1)C1(CCN(Cc3cnn(-c4ccccc4)c3)CC1)OC2C=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 9/20 0.46
▸ DRD2 P14416 8/20 0.46
▸ DRD3 P35462 8/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HTR2C P28335 1/20 0.43
▸ KCNH2 Q12809 1/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL26016461 0.88 DRD4 (0.45) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL25357836 0.85 SIGMAR1 (0.49) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL26004274 0.85 SIGMAR1 (0.49) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL26004276 0.83 MEN1 (0.47) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL25362300 0.83 MEN1 (0.47) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL26014425 0.81 DRD4 (0.43) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL26004284 0.79 MAPK1 (0.45) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL26012437 0.77 DRD4 (0.55) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL26012148 0.77 DRD4 (0.55) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL26012971 0.77 DRD4 (0.47) DRD4DRD2DRD3MEN1KMT2A

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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