SCHEMBL5887653

SCHEMBL5887653

COC1=CC[CH]C(c2ccccc2OC)=C1c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 6/20 0.40
GCGR P47871 1/20 0.39
MAPK14 Q16539 1/20 0.39
HTR7 P34969 1/20 0.38
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD11B1 P28845 1/20 0.34
HSD17B3 P37058 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PTPRC P08575 1/20 0.34
PTPN1 P18031 1/20 0.34
LMNA P02545 1/20 0.34
NR3C1 P04150 1/20 0.34
DPP4 P27487 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
SCHEMBL5887625 0.88 HSP90AA1 (0.36) FFAR2HTR7NPC1MAPTSMN1; SMN2
SCHEMBL5887667 0.87 NPC1 (0.39) FFAR2HTR7NPC1MAPTSMN1; SMN2
SCHEMBL5887589 0.86 APEX1 (0.36) FFAR2HTR7NPC1MAPTSMN1; SMN2
SCHEMBL6416879 0.83 HPGD (0.32) KMT2AHSP90AA1HSP90AB1
SCHEMBL5887426 0.79 MEN1 (0.34) FFAR2NPC1SMN1; SMN2KMT2AHSP90AA1
SCHEMBL5887155 0.77 NOTUM (0.36) MAPK14NPC1MAPTSMN1; SMN2SLC6A3
SCHEMBL6047617 0.77 TUBB4A (0.37) NPC1MAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL5887347 0.76 MEN1 (0.35) MAPTKMT2A
SCHEMBL5887288 0.75 ALDH1A3 (0.41) GCGRMAPK14SMN1; SMN2KDM4EHSD17B3
SCHEMBL5887191 0.74 MEN1 (0.37) MAPK14NPC1MAPTSMN1; SMN2KMT2A

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
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US claimed
JP-2006501194-A 2006-01-12 JP claimed
EP-1525190-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-27 EP claimed
WO-2004007463-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-01-22 WO claimed