SCHEMBL5014371

SCHEMBL5014371

CC(C)(C)c1ccc(C2=NOC3(CCN(OC(=O)Nc4ccccc4C(F)(F)F)CC3)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.38
KMT2A Q03164 2/20 0.37
TRPV1 Q8NER1 2/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
MEN1 O00255 1/20 0.36
MIF P14174 1/20 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
SCHEMBL5012843 0.94 CHRM3 (0.39) CHRM3KMT2ATRPV1POLBLMNA
SCHEMBL5012917 0.91 KMT2A (0.42) KMT2APOLBLMNATSHRF2
SCHEMBL5012868 0.91 KMT2A (0.40) KMT2ATRPV1POLBTSHRMEN1
SCHEMBL5014399 0.90 CHRM3 (0.39) CHRM3KMT2ATRPV1POLBMEN1
SCHEMBL16175711 0.90 ALDH1A1 (0.40) KMT2APOLBMEN1
SCHEMBL5015747 0.89 CHRM3 (0.40) CHRM3KMT2AMEN1MIF
SCHEMBL5014557 0.89 CHRM3 (0.40) CHRM3KMT2AMIF
SCHEMBL16175588 0.88 RAB9A (0.38) CHRM3KMT2ATRPV1
SCHEMBL16175602 0.88 ATM (0.43) CHRM3KMT2ATRPV1MEN1
SCHEMBL5014339 0.88 KMT2A (0.39) CHRM3KMT2AMIF

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