SCHEMBL8889424

SCHEMBL8889424

Nc1cccc(CC2CCc3ccc(OCc4nc5cc(F)c(F)cc5s4)cc3C2O)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 9/20 0.48
CYSLTR2 Q9NS75 7/20 0.48
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL8889206 0.91 CYSLTR1 (0.58) CYSLTR1CYSLTR2NPC1RAB9AMAPT
SCHEMBL8891840 0.85 CYSLTR1 (0.67) CYSLTR1CYSLTR2
SCHEMBL8897245 0.84 CYSLTR1 (0.59) CYSLTR1CYSLTR2
SCHEMBL8897252 0.84 CYSLTR1 (0.59) CYSLTR1CYSLTR2
SCHEMBL8889158 0.79 LTB4R (0.44) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL8890576 0.78 CYSLTR2 (0.35) CYSLTR1CYSLTR2RAB9AKMT2ASMN1; SMN2
SCHEMBL8888639 0.78 CYSLTR1 (0.36) CYSLTR1CYSLTR2
SCHEMBL8890412 0.77 LTB4R (0.53) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL8890460 0.76 CYSLTR1 (0.80) CYSLTR1CYSLTR2NPC1RAB9AKMT2A
SCHEMBL8888630 0.76 CYSLTR1 (0.60) CYSLTR1CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5641789-A INHIBITORS OF LEUKOTRIENES AND/OR BLOCKERS OF LEUKOTRIENE RECEPTORS; USEFUL IN PREVENTION OR TREATMENT OF ASTHMA, ARTHRITIS, PSORIASIS, ULCERS, MYOCARDIAL INFARCTION PFIZER INC. (US) 1997-06-24 US disclosed