SCHEMBL5014386

SCHEMBL5014386

Cc1ccc(C2=NOC3(CCN(OC(=O)Nc4ccc(C(C)(C)C)cc4)CC3)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
FAAH O00519 1/20 0.37
BCL2 P10415 1/20 0.36
BECN1 Q14457 1/20 0.36
KIF11 P52732 1/20 0.36
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK10 P53779 1/20 0.34

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
SCHEMBL5012959 1.00 KMT2A (0.39) KMT2AMAPTFAAHBCL2BECN1
SCHEMBL5012817 0.96 FAAH (0.39) KMT2AMAPTFAAHKIF11TRPV1
SCHEMBL5012223 0.92 TRPV1 (0.41) MAPTFAAHTRPV1
SCHEMBL5015689 0.92 KMT2A (0.43) KMT2AMAPTFAAHKIF11LMNA
SCHEMBL5012848 0.92 FAAH (0.42) KMT2AMAPTFAAHKIF11TRPV1
SCHEMBL5014417 0.92 TRPV1 (0.41) MAPTFAAHTRPV1
SCHEMBL16175670 0.92 SMN1; SMN2 (0.41) KMT2AMAPTFAAHTRPV1
SCHEMBL5012816 0.92 FPR1 (0.40) KMT2AFAAHTRPV1
SCHEMBL5012693 0.92 FAAH (0.36) KMT2AMAPTFAAHKIF11TRPV1
SCHEMBL5014559 0.92 SMN1; SMN2 (0.41) KMT2AMAPTFAAHTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP claimed
EP-1888596-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP claimed
WO-2006122770-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP disclosed