SCHEMBL26004283

SCHEMBL26004283

CNC(=O)C1OC2(CCN(Cc3cnn(-c4cnc(C)nc4)c3)CC2)c2cc(Cl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 4/20 0.43
▸ DRD2 P14416 2/20 0.43
▸ SIGMAR1 Q99720 4/20 0.42
▸ HTR2C P28335 2/20 0.39
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ GRIN2B Q13224 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ ALPL P05186 1/20 0.35
▸ ALPI P09923 1/20 0.35
▸ ALPG P10696 1/20 0.35
▸ RIN1 Q13671 1/20 0.35
▸ ACKR3 P25106 1/20 0.34

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
SCHEMBL25359584 1.00 DRD4 (0.43) DRD4DRD2SIGMAR1HTR2CKMT2A
SCHEMBL26004166 0.91 DRD4 (0.48) DRD4DRD2SIGMAR1HTR2CKMT2A
SCHEMBL26004281 0.91 DRD4 (0.45) DRD4DRD2SIGMAR1HTR2CKMT2A
SCHEMBL25360180 0.91 DRD4 (0.45) DRD4DRD2SIGMAR1HTR2CKMT2A
SCHEMBL25359715 0.91 DRD4 (0.48) DRD4DRD2SIGMAR1HTR2CKMT2A
SCHEMBL26004220 0.88 SIGMAR1 (0.41) DRD4DRD2SIGMAR1HTR2CKMT2A
SCHEMBL25356661 0.86 MAPK1 (0.45) DRD4DRD2SIGMAR1HTR2CKMT2A
SCHEMBL26005043 0.86 MAPK1 (0.45) DRD4DRD2SIGMAR1HTR2CKMT2A
SCHEMBL25357942 0.84 ABL1 (0.51) SIGMAR1KMT2AMEN1ABL1ALPL
SCHEMBL26005048 0.84 ABL1 (0.51) SIGMAR1KMT2AMEN1ABL1ALPL

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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