SCHEMBL8093299

SCHEMBL8093299

CCc1ccc(Cc2cccc(OC)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57
LTA4H P09960 3/20 0.55
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
CHRM3 P20309 1/20 0.54
TAAR1 Q96RJ0 3/20 0.53
IDO1 P14902 2/20 0.53
AGXT P21549 2/20 0.53
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAOB P27338 2/20 0.50
HTR1B P28222 1/20 0.49
CMA1 P23946 1/20 0.49
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL14191204 0.89 LTA4H (0.70) MTNR1AMTNR1BLTA4HCHRM2CHRM1
SCHEMBL2099512 0.88 CHRM2 (0.66) LTA4HCHRM2CHRM1CHRM3TAAR1
SCHEMBL31739258 0.86 LTA4H (0.67) MTNR1AMTNR1BLTA4HCHRM2CHRM1
SCHEMBL2092574 0.86 LTA4H (0.67) MTNR1AMTNR1BLTA4HCHRM2CHRM1
SCHEMBL12497 0.86 TAAR1 (0.62) CHRM2CHRM1CHRM3TAAR1IDO1
SCHEMBL29908907 0.86 TAAR1 (0.62) CHRM2CHRM1CHRM3TAAR1IDO1
SCHEMBL8515510 0.86 MTNR1A (0.58) MTNR1AMTNR1BLTA4HCHRM2CHRM1
SCHEMBL13880096 0.85 MAOB (0.62) MTNR1AMTNR1BLTA4HCHRM2CHRM1
SCHEMBL27937229 0.84 LTA4H (0.60) MTNR1AMTNR1BLTA4HCHRM2CHRM1
Ammonia Solution, Strong SCHEMBL265549 0.84 TAAR1 (0.60) CHRM2CHRM1CHRM3TAAR1IDO1

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
EP-1051394-A1 POTASSIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2000-11-15 EP disclosed
WO-1999037607-A1 POTASSIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 1999-07-29 WO disclosed