SCHEMBL6427739

SCHEMBL6427739

Cn1ncc(NC(=O)NC2CCN(C(=O)O)C2)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.40
EPHX2 P34913 7/20 0.40
KDM5A P29375 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.37
USP30 Q70CQ3 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSC P53634 1/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL5495007 1.00 TRPV1 (0.40) TRPV1EPHX2KDM5AKDM5BTRPM8
SCHEMBL5500964 0.89 USP30 (0.51) USP30EPHX1
SCHEMBL5499584 0.86 HDAC1 (0.39) KDM4ETSHRUSP30
SCHEMBL5497058 0.86 HDAC1 (0.39) KDM4ETSHRUSP30
SCHEMBL5496605 0.86 HDAC1 (0.39) KDM4ETSHRUSP30
SCHEMBL5493786 0.83 USP30 (0.42) TRPV1USP30
SCHEMBL27620821 0.82 HDAC3 (0.49) USP30
SCHEMBL6430075 0.82 HDAC3 (0.49) USP30
SCHEMBL5493346 0.80 HDAC1 (0.35) TRPV1KDM4E
SCHEMBL5500438 0.80 KMT2A (0.33) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556389-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2005-07-27 EP disclosed
WO-2004039814-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2004-05-13 WO disclosed