SCHEMBL4742397

SCHEMBL4742397

C[N+](C)(CCOCCc1ccccc1)Cc1cnc(C(O)(c2ccccc2)C2CCCC2)o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
KCNH2 Q12809 5/20 0.35
HRH1 P35367 5/20 0.35
CHRM2 P08172 4/20 0.35
CHRM1 P11229 4/20 0.35
MEN1 O00255 4/20 0.35
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 4/20 0.35
SLC6A3 Q01959 3/20 0.35
TSHR P16473 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
APAF1 O14727 3/20 0.35
USP2 O75604 3/20 0.35
TP53 P04637 3/20 0.35
MAPT P10636 3/20 0.35
CHRM3 P20309 3/20 0.35
RAD52 P43351 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 3/20 0.35
CYP2D6 P10635 3/20 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
SCHEMBL4743216 0.99 CHRM2 (0.36) LMNAKCNH2HRH1CHRM2CHRM1
SCHEMBL4743343 0.99 CHRM2 (0.36) LMNAKCNH2HRH1CHRM2CHRM1
SCHEMBL524177 0.99 CHRM2 (0.36) LMNAKCNH2HRH1CHRM2CHRM1
SCHEMBL524178 0.99 CHRM2 (0.36) LMNAKCNH2HRH1CHRM2CHRM1
Bromide SCHEMBL1109913 0.98 CHRM2 (0.36) LMNAKCNH2HRH1CHRM2CHRM1
Bromide SCHEMBL1109911 0.98 CHRM2 (0.36) LMNAKCNH2HRH1CHRM2CHRM1
SCHEMBL4740592 0.98 HRH1 (0.35) LMNAKCNH2HRH1CHRM2CHRM1
SCHEMBL4743394 0.94 CHRM2 (0.36) LMNAKCNH2HRH1CHRM2CHRM1
SCHEMBL4743400 0.94 CHRM2 (0.36) LMNAKCNH2HRH1CHRM2CHRM1
SCHEMBL4742443 0.94 CHRM2 (0.36) LMNAKCNH2HRH1CHRM2CHRM1

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
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO claimed
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed