SCHEMBL14101216

SCHEMBL14101216

C[N+](C)(CCOc1ccccc1)Cc1cnc(C(O)(c2ccccc2)C2CCCC2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
CHRM2 P08172 8/20 0.38
CHRM1 P11229 8/20 0.38
CHRM3 P20309 7/20 0.38
KCNH2 Q12809 4/20 0.38
SLC6A3 Q01959 2/20 0.38
ADRA1A P35348 2/20 0.38
MLNR O43193 1/20 0.38
NR1I2 O75469 1/20 0.38
ESR1 P03372 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL1109774 0.99 CHRNA7 (0.39) LMNACHRM2CHRM1CHRM3KCNH2
SCHEMBL1109773 0.99 CHRNA7 (0.39) LMNACHRM2CHRM1CHRM3KCNH2
SCHEMBL4744134 0.98 CHRM3 (0.38) LMNACHRM2CHRM1CHRM3KCNH2
SCHEMBL13329512 0.95 KCNH2 (0.39) LMNACHRM2CHRM1CHRM3KCNH2
SCHEMBL1109843 0.95 KCNH2 (0.39) LMNACHRM2CHRM1CHRM3KCNH2
SCHEMBL13329509 0.95 KCNH2 (0.39) LMNACHRM2CHRM1CHRM3KCNH2
Formic Acid SCHEMBL2879843 0.94 CHRNA7 (0.38) LMNACHRM2CHRM1CHRM3KCNH2
SCHEMBL4744082 0.94 KCNH2 (0.38) LMNACHRM2CHRM1CHRM3KCNH2
SCHEMBL524278 0.94 KCNH2 (0.39) LMNACHRM2CHRM1CHRM3KCNH2
SCHEMBL4743353 0.94 KCNH2 (0.39) LMNACHRM2CHRM1CHRM3KCNH2

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