SCHEMBL26004281

SCHEMBL26004281

Cc1ncc(-n2cc(CN3CCC4(CC3)OC(C(N)=O)c3ccc(Cl)cc34)cn2)cn1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 4/20 0.45
▸ DRD2 P14416 2/20 0.45
▸ SIGMAR1 Q99720 3/20 0.43
▸ HTR2C P28335 2/20 0.40
▸ DRD3 P35462 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ NPSR1 Q6W5P4 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
SCHEMBL25360180 1.00 DRD4 (0.45) DRD4DRD2SIGMAR1HTR2CDRD3
SCHEMBL26004283 0.91 DRD4 (0.43) DRD4DRD2SIGMAR1HTR2CDRD3
SCHEMBL25359584 0.91 DRD4 (0.43) DRD4DRD2SIGMAR1HTR2CDRD3
SCHEMBL26012439 0.89 DRD4 (0.51) DRD4DRD2SIGMAR1HTR2CDRD3
SCHEMBL25359488 0.89 DRD4 (0.51) DRD4DRD2SIGMAR1HTR2CDRD3
SCHEMBL26004354 0.89 SIGMAR1 (0.49) SIGMAR1
SCHEMBL26013583 0.86 SIGMAR1 (0.46) DRD4DRD2SIGMAR1MEN1KMT2A
SCHEMBL26004506 0.86 DRD4 (0.42) DRD4DRD2SIGMAR1HTR2CDRD3
SCHEMBL26004218 0.85 DRD4 (0.45) DRD4DRD2SIGMAR1HTR2CDRD3
SCHEMBL25356312 0.84 MAPK1 (0.45) DRD4DRD2SIGMAR1HTR2CDRD3

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 3 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
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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