SCHEMBL8774838

SCHEMBL8774838

CCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3cc(F)c(F)nc3F)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.35
CYP2C9 P11712 1/20 0.34
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
TLR4 O00206 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.31

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
SCHEMBL8774689 0.96 OPRL1 (0.37) OPRL1CYP2C9KDM4ERAB9AL3MBTL1
SCHEMBL8774696 0.96 OPRL1 (0.37) OPRL1CYP2C9KDM4ERAB9AL3MBTL1
SCHEMBL8774787 0.92 GAA (0.36) OPRL1CYP2C9RAB9AMAPTLMNA
SCHEMBL8774738 0.91 MAPT (0.38) OPRL1CYP2C9RAB9AMAPTMEN1
SCHEMBL8774781 0.88 TRPV3 (0.34) OPRL1ALDH1A1
SCHEMBL8774401 0.87 GAA (0.38) OPRL1CYP2C9RAB9AMAPTLMNA
SCHEMBL8774389 0.87 GAA (0.38) OPRL1CYP2C9RAB9AMAPTLMNA
SCHEMBL8775240 0.86 MAPT (0.40) OPRL1CYP2C9RAB9AMAPTMEN1
SCHEMBL8775233 0.86 MAPT (0.40) OPRL1CYP2C9RAB9AMAPTMEN1
SCHEMBL8774937 0.83 TRPV3 (0.36) OPRL1ALDH1A1

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-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed