SCHEMBL16175752

SCHEMBL16175752

Cc1ccc(C2=NOC3(CCN(OC(=O)Nc4ccccc4Cl)CC3)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
EPHX2 P34913 1/20 0.38
GAA P10253 2/20 0.37
ATM Q13315 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL16175727 0.92 KMT2A (0.41) KMT2AMEN1GAAATM
SCHEMBL16175673 0.92 KMT2A (0.45) KMT2AMEN1GAAATM
SCHEMBL5014388 0.90 KMT2A (0.43) KMT2A
SCHEMBL16175602 0.90 ATM (0.43) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL5012967 0.89 KMT2A (0.42) KMT2AMEN1NPC1RAB9AEPHX2
SCHEMBL5012923 0.89 KMT2A (0.46) KMT2AEPHX2
SCHEMBL16175697 0.88 TRPM8 (0.39) KMT2AMEN1NPC1RAB9AEPHX2
SCHEMBL5065032 0.88 KMT2A (0.43) KMT2AMEN1
SCHEMBL5012814 0.88 KMT2A (0.42) KMT2AMEN1NPC1RAB9A
SCHEMBL5012856 0.88 KMT2A (0.42) KMT2AMEN1

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-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP claimed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP disclosed