SCHEMBL30623446

SCHEMBL30623446

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ DRD4 P21917 10/20 0.42
▸ HTR2C P28335 6/20 0.42
▸ DRD2 P14416 4/20 0.42
▸ DRD3 P35462 3/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ SIGMAR1 Q99720 2/20 0.38
▸ MAPT P10636 1/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ LMNA P02545 2/20 0.35

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
SCHEMBL25359279 1.00 MAPK1 (0.42) MAPK1RECQLDRD4HTR2CDRD2
SCHEMBL25357626 0.94 MAPK1 (0.41) MAPK1RECQLDRD4HTR2CDRD2
SCHEMBL30623449 0.94 MAPK1 (0.41) MAPK1RECQLDRD4HTR2CDRD2
SCHEMBL30623434 0.92 MAPK1 (0.41) MAPK1RECQLDRD4HTR2CDRD2
SCHEMBL25358042 0.92 MAPK1 (0.41) MAPK1RECQLDRD4HTR2CDRD2
SCHEMBL25356801 0.87 DRD4 (0.52) MAPK1RECQLDRD4HTR2CDRD2
SCHEMBL30623379 0.87 DRD4 (0.52) MAPK1RECQLDRD4HTR2CDRD2
SCHEMBL26012504 0.87 DRD4 (0.52) MAPK1RECQLDRD4HTR2CDRD2
SCHEMBL25360278 0.86 SIGMAR1 (0.44) MAPK1RECQLDRD4HTR2CDRD2
SCHEMBL30623412 0.86 SIGMAR1 (0.44) MAPK1RECQLDRD4HTR2CDRD2

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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