SCHEMBL7806536

SCHEMBL7806536

OCc1ccc2cccc(F)c2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.63
LMNA P02545 3/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PDE10A Q9Y233 2/20 0.41
ADORA2A P29274 2/20 0.40
PFKFB3 Q16875 1/20 0.39
PARP1 P09874 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
AR P10275 1/20 0.37
NOTUM Q6P988 1/20 0.37
ADORA1 P30542 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL14911977 0.85 PDE10A (0.45) CCR1LMNAKMT2AMEN1ALDH1A1
SCHEMBL3710009 0.81 PARP1 (0.54) CCR1LMNAKMT2AMEN1ALDH1A1
SCHEMBL9018899 0.81 PDE10A (0.44) CCR1LMNAKMT2AMEN1ALDH1A1
SCHEMBL6196701 0.81 CCR1 (0.63) CCR1LMNAKMT2AMEN1ALDH1A1
SCHEMBL5301328 0.79 CCR1 (1.00) CCR1LMNAPDE10APARP1CYSLTR1
SCHEMBL9220073 0.78 CCR1 (0.65) CCR1LMNAKMT2AMEN1ALDH1A1
SCHEMBL12844021 0.78 PDE10A (0.48) CCR1LMNAKMT2AMEN1ALDH1A1
SCHEMBL31434366 0.78 PARP1 (0.48) CCR1LMNAKMT2AMEN1ALDH1A1
SCHEMBL8588461 0.77 CCR1 (0.63) CCR1ALDH1A1PDE10APARP1KDM4E
SCHEMBL28722027 0.77 CCR1 (0.63) CCR1LMNAKMT2AMEN1PDE10A

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-0685478-B1 QUINOLINE DERIVATIVES UBE INDUSTRIES (JP) 2001-10-24 EP disclosed
US-5591752-A LEUKOTRIENE ANTAGONIST, ANTIALLERGEN, ANTIINFLAMMATORY AGENT, DIBENZ(B,E)OXEPINE UBE INDUSTRIES, LTD. (JP) 1997-01-07 US disclosed
EP-0685478-A1 QUINOLINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 1995-12-06 EP disclosed