SCHEMBL26004163

SCHEMBL26004163

CNC(=O)C1OC2(CCN(Cc3cnn(-c4ccccc4)c3)CC2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 8/20 0.54
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ DRD4 P21917 4/20 0.48
▸ DRD2 P14416 3/20 0.48
▸ DRD3 P35462 3/20 0.48
▸ ADRA2A P08913 1/20 0.46
▸ OPRM1 P35372 2/20 0.45
▸ OPRK1 P41145 2/20 0.45
▸ EBP Q15125 1/20 0.45
▸ SLC18A3 Q16572 1/20 0.45
▸ OPRD1 P41143 1/20 0.44
▸ HTR2C P28335 1/20 0.44

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
SCHEMBL25358228 1.00 SIGMAR1 (0.54) SIGMAR1MEN1KMT2ADRD4DRD2
SCHEMBL26004216 0.91 MEN1 (0.48) SIGMAR1MEN1KMT2ADRD4DRD2
SCHEMBL25362300 0.90 MEN1 (0.47) SIGMAR1MEN1KMT2ADRD4DRD2
SCHEMBL26004166 0.90 DRD4 (0.48) SIGMAR1MEN1KMT2ADRD4DRD2
SCHEMBL25359715 0.90 DRD4 (0.48) SIGMAR1MEN1KMT2ADRD4DRD2
SCHEMBL26004276 0.90 MEN1 (0.47) SIGMAR1MEN1KMT2ADRD4DRD2
SCHEMBL25357242 0.89 MEN1 (0.46) SIGMAR1MEN1KMT2ADRD4DRD2
SCHEMBL30623484 0.89 MEN1 (0.44) SIGMAR1MEN1KMT2ADRD4DRD2
SCHEMBL25360846 0.89 MEN1 (0.44) SIGMAR1MEN1KMT2ADRD4DRD2
SCHEMBL26013065 0.89 MEN1 (0.44) SIGMAR1MEN1KMT2ADRD4DRD2

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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