SCHEMBL26004220

SCHEMBL26004220

CNC(=O)C1OC2(CCN(Cc3cnn(-c4cccnc4)c3)CC2)c2cc(Cl)ccc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.41
▸ DRD4 P21917 4/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ HTR2C P28335 2/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ ACKR3 P25106 1/20 0.38
▸ FAAH O00519 3/20 0.37
▸ USP2 O75604 1/20 0.36

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
SCHEMBL25359715 0.92 DRD4 (0.48) SIGMAR1DRD4DRD2HTR2CDRD3
SCHEMBL26004166 0.92 DRD4 (0.48) SIGMAR1DRD4DRD2HTR2CDRD3
SCHEMBL26004506 0.90 DRD4 (0.42) SIGMAR1DRD4DRD2HTR2CDRD3
SCHEMBL25359584 0.88 DRD4 (0.43) SIGMAR1DRD4DRD2HTR2CDRD3
SCHEMBL26004283 0.88 DRD4 (0.43) SIGMAR1DRD4DRD2HTR2CDRD3
SCHEMBL25356661 0.87 MAPK1 (0.45) SIGMAR1DRD4DRD2HTR2CDRD3
SCHEMBL26005043 0.87 MAPK1 (0.45) SIGMAR1DRD4DRD2HTR2CDRD3
SCHEMBL26012483 0.86 DRD4 (0.45) DRD4DRD2HTR2CDRD3KMT2A
SCHEMBL26004216 0.83 MEN1 (0.48) SIGMAR1DRD4DRD2HTR2CDRD3
SCHEMBL26014425 0.83 DRD4 (0.43) SIGMAR1DRD4DRD2HTR2CDRD3

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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