SCHEMBL4434003

SCHEMBL4434003

CO[C@H]1CN(C(=O)c2cn3c(n2)CN(C)CC3)CC1NC(=O)Oc1ccc(Cl)s1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 5/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ F10 P00742 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ P2RX7 Q99572 1/20 0.30

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
SCHEMBL3310258 0.88 F10 (0.42) F10
SCHEMBL13395158 0.88 F10 (0.42) F10
SCHEMBL3310261 0.88 F10 (0.42) F10
SCHEMBL13413113 0.79 SMO (0.32) SMOHDAC6
SCHEMBL13372815 0.79 F10 (0.55) F10
SCHEMBL4583647 0.76 F10 (0.38) HDAC6F10
SCHEMBL4584319 0.76 F10 (0.44) HDAC6F10
SCHEMBL4432476 0.76 F10 (0.42) HDAC6F10
SCHEMBL4583142 0.76 F10 (0.44) SMOHDAC6F10
SCHEMBL13372730 0.73 F10 (0.40) F10

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-2132193-B1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INT (DE) 2012-10-24 — — EP disclosed
EP-2132193-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS Boehringer Ingelheim International GmbH (DE) 2009-12-16 — — EP disclosed
WO-2008116881-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-02 — — WO disclosed
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