SCHEMBL30623428

SCHEMBL30623428

C[C@H]1CC2(CCN1Cc1cnn(-c3ccccc3)c1)OC(C#N)c1ccc(Cl)cc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.43
▸ DRD4 P21917 11/20 0.42
▸ HTR2C P28335 7/20 0.42
▸ DRD2 P14416 4/20 0.42
▸ DRD3 P35462 3/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ BACE1 P56817 1/20 0.33

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
SCHEMBL25360102 1.00 SIGMAR1 (0.43) SIGMAR1DRD4HTR2CDRD2DRD3
SCHEMBL25355453 0.87 SIGMAR1 (0.59) SIGMAR1DRD4HTR2CDRD2DRD3
SCHEMBL26012503 0.87 SIGMAR1 (0.59) SIGMAR1DRD4HTR2CDRD2DRD3
SCHEMBL25360278 0.86 SIGMAR1 (0.44) SIGMAR1DRD4HTR2CDRD2DRD3
SCHEMBL30623412 0.86 SIGMAR1 (0.44) SIGMAR1DRD4HTR2CDRD2DRD3
SCHEMBL25359279 0.86 MAPK1 (0.42) SIGMAR1DRD4HTR2CDRD2DRD3
SCHEMBL30623446 0.86 MAPK1 (0.42) SIGMAR1DRD4HTR2CDRD2DRD3
SCHEMBL30623449 0.84 MAPK1 (0.41) SIGMAR1DRD4HTR2CDRD2DRD3
SCHEMBL25357626 0.84 MAPK1 (0.41) SIGMAR1DRD4HTR2CDRD2DRD3
SCHEMBL25358042 0.83 MAPK1 (0.41) SIGMAR1DRD4HTR2CDRD2DRD3

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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