SCHEMBL30623484

SCHEMBL30623484

CNC(=O)C1OC2(CCN(Cc3cnn(-c4ccccc4)c3)CC2)c2cc(C#N)ccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SIGMAR1 Q99720 4/20 0.44
▸ DRD4 P21917 6/20 0.42
▸ DRD2 P14416 5/20 0.42
▸ DRD3 P35462 5/20 0.42
▸ MAPK1 P28482 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ HTR2C P28335 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KCNJ1 P48048 1/20 0.38

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
SCHEMBL25360846 1.00 MEN1 (0.44) MEN1KMT2ASIGMAR1DRD4DRD2
SCHEMBL26004216 0.90 MEN1 (0.48) MEN1KMT2ASIGMAR1DRD4DRD2
SCHEMBL30623427 0.90 MEN1 (0.44) MEN1KMT2ASIGMAR1DRD4DRD2
SCHEMBL25361339 0.90 MEN1 (0.44) MEN1KMT2ASIGMAR1DRD4DRD2
SCHEMBL25359715 0.89 DRD4 (0.48) MEN1KMT2ASIGMAR1DRD4DRD2
SCHEMBL25362300 0.89 MEN1 (0.47) MEN1KMT2ASIGMAR1DRD4DRD2
SCHEMBL26004276 0.89 MEN1 (0.47) MEN1KMT2ASIGMAR1DRD4DRD2
SCHEMBL26004166 0.89 DRD4 (0.48) MEN1KMT2ASIGMAR1DRD4DRD2
SCHEMBL25358228 0.89 SIGMAR1 (0.54) MEN1KMT2ASIGMAR1DRD4DRD2
SCHEMBL26004163 0.89 SIGMAR1 (0.54) MEN1KMT2ASIGMAR1DRD4DRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4476207-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME Vertex Pharmaceuticals Incorporated (US) 2024-12-18 — — EP disclosed
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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