SCHEMBL11096355

SCHEMBL11096355

O=C(O)CC1CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.59
OPRK1 P41145 6/20 0.59
OPRM1 P35372 4/20 0.59
OPRD1 P41143 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
LTA4H P09960 1/20 0.50
NR1H2 P55055 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
Hydrochloric Acid SCHEMBL11094804 0.98 KCNH2 (0.57) KCNH2OPRK1OPRM1OPRD1L3MBTL1
SCHEMBL8947193 0.82 NR1H2 (0.54) KCNH2OPRK1OPRM1OPRD1L3MBTL1
SCHEMBL3971681 0.82 ALDH1A1 (0.56) KCNH2OPRK1OPRM1OPRD1L3MBTL1
SCHEMBL12794645 0.82 ALDH1A1 (0.56) KCNH2OPRK1OPRM1OPRD1L3MBTL1
SCHEMBL31488579 0.81 NR1H2 (0.45) KCNH2OPRK1OPRM1OPRD1LMNA
SCHEMBL17506126 0.81 NR1H2 (0.45) KCNH2OPRK1OPRM1OPRD1LMNA
SCHEMBL7371335 0.81 LMNA (0.56) KCNH2OPRK1OPRM1OPRD1L3MBTL1
SCHEMBL11094118 0.81 LMNA (0.56) KCNH2OPRK1OPRM1OPRD1L3MBTL1
SCHEMBL5354509 0.81 OPRK1 (0.55) KCNH2OPRK1OPRM1OPRD1L3MBTL1
SCHEMBL17506127 0.80 NR1H2 (0.44) KCNH2OPRK1OPRM1OPRD1L3MBTL1

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-0031219-B1 ANILINE DERIVATIVES BEECHAM GROUP PLC (GB) 1984-03-07 EP disclosed
US-4350691-A ANTIEMETICS BEECHAM GROUP LIMITED (GB) 1982-09-21 US disclosed
EP-0031219-A1 Aniline derivatives BEECHAM GROUP PLC (GB) 1981-07-01 EP disclosed