SCHEMBL26012483

SCHEMBL26012483

CC1OC2(CCN(Cc3cnn(-c4cccnc4)c3)CC2)c2cc(Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 5/20 0.45
▸ DRD2 P14416 3/20 0.45
▸ HTR2C P28335 2/20 0.45
▸ DRD3 P35462 2/20 0.45
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ PRCP P42785 3/20 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
SCHEMBL26012148 0.91 DRD4 (0.55) DRD4DRD2HTR2CDRD3MEN1
SCHEMBL26012437 0.91 DRD4 (0.55) DRD4DRD2HTR2CDRD3MEN1
SCHEMBL26012919 0.87 SIGMAR1 (0.51) DRD4DRD2HTR2CDRD3MEN1
SCHEMBL26014425 0.87 DRD4 (0.43) DRD4DRD2HTR2CDRD3MEN1
SCHEMBL26004506 0.86 DRD4 (0.42) DRD4DRD2HTR2CDRD3MEN1
SCHEMBL26004220 0.86 SIGMAR1 (0.41) DRD4DRD2HTR2CDRD3MEN1
SCHEMBL25354914 0.80 ADRA2A (0.59) DRD4DRD2HTR2CDRD3MEN1
SCHEMBL30623375 0.80 ADRA2A (0.59) DRD4DRD2HTR2CDRD3MEN1
SCHEMBL26012362 0.79 MAPK1 (0.51) DRD4DRD2HTR2CDRD3MEN1
SCHEMBL26012971 0.78 DRD4 (0.47) DRD4DRD2HTR2CDRD3MEN1

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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