SCHEMBL26012971

SCHEMBL26012971

C=Cc1ccc2c(c1)C1(CCN(Cc3cnn(-c4ccccc4)c3)CC1)OC2C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 10/20 0.47
▸ DRD2 P14416 9/20 0.47
▸ DRD3 P35462 9/20 0.47
▸ HTR2C P28335 1/20 0.46
▸ HTR1A P08908 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL25358567 0.87 SIGMAR1 (0.54) DRD4DRD2DRD3HTR2CHTR1A
SCHEMBL26012437 0.86 DRD4 (0.55) DRD4DRD2DRD3HTR2CMEN1
SCHEMBL26012148 0.86 DRD4 (0.55) DRD4DRD2DRD3HTR2CMEN1
SCHEMBL26013065 0.86 MEN1 (0.44) DRD4DRD2DRD3HTR2CHTR1A
SCHEMBL25358283 0.86 DRD4 (0.44) DRD4DRD2DRD3HTR2CHTR1A
SCHEMBL26012362 0.85 MAPK1 (0.51) DRD4DRD2DRD3HTR2CHTR1A
SCHEMBL26013082 0.82 DRD4 (0.51) DRD4DRD2DRD3HTR2CHTR1A
SCHEMBL26012483 0.78 DRD4 (0.45) DRD4DRD2DRD3HTR2CMEN1
SCHEMBL26013084 0.77 DRD4 (0.46) DRD4DRD2DRD3HTR2CHTR1A
SCHEMBL26012261 0.76 DRD4 (0.48) DRD4DRD2DRD3HTR2CHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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