SCHEMBL9157375

SCHEMBL9157375

CCC[C@H]1CC[C@H](C2CCC(c3ccc(Cl)nc3F)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 16/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL9157398 1.00 OPRL1 (0.36) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9157383 1.00 OPRL1 (0.36) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9157391 1.00 OPRL1 (0.36) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9766642 0.95 GAA (0.36) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9766648 0.95 GAA (0.36) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9766646 0.95 GAA (0.36) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9156448 0.93 GAA (0.37) OPRL1CYP2C9LMNAMAPTMEN1
SCHEMBL9156440 0.93 GAA (0.37) OPRL1CYP2C9LMNAMAPTMEN1
SCHEMBL9156444 0.93 GAA (0.37) OPRL1CYP2C9LMNAMAPTMEN1
SCHEMBL9156434 0.93 GAA (0.37) OPRL1CYP2C9LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445248-B1 PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 1995-03-08 EP disclosed
US-5205962-A Stable liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-04-27 US disclosed
WO-1991004248-A1 PYRIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-04 WO disclosed