SCHEMBL10266403

SCHEMBL10266403

C=C/C=C(\C=C)CN1C[C@@H](Nc2nc(N3CCC(c4ccc(Cl)cc4)CC3)nc3c2[S+]([O-])CC3)CCC1=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.31

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
SCHEMBL374023 0.84 DRD2 (0.37) PDE4D
SCHEMBL8040790 0.84 DRD2 (0.37) PDE4D
SCHEMBL12921600 0.82 KMT2A (0.33) PDE4D
SCHEMBL373484 0.82 KCNH2 (0.34) —
SCHEMBL15088438 0.82 KCNH2 (0.34) —
SCHEMBL186820 0.82 SRD5A1 (0.43) PDE4D
SCHEMBL12210438 0.79 CHIT1 (0.35) PDE4D
SCHEMBL12921335 0.78 PDE4D (0.32) PDE4D
SCHEMBL12921339 0.76 GAA (0.34) —
SCHEMBL15976857 0.75 CHIT1 (0.32) PDE4D

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
EP-2215092-B1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2012-01-25 — — EP disclosed
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