SCHEMBL8947193

SCHEMBL8947193

CCOC(=O)CC1CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.54
OPRK1 P41145 9/20 0.51
KCNH2 Q12809 8/20 0.51
OPRM1 P35372 4/20 0.51
OPRD1 P41143 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 1/20 0.47
USP2 O75604 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
SCHEMBL11096355 0.82 KCNH2 (0.59) NR1H2OPRK1KCNH2OPRM1OPRD1
SCHEMBL7744542 0.82 ALDH1A1 (0.53) OPRK1KCNH2OPRM1L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL11094804 0.81 KCNH2 (0.57) NR1H2OPRK1KCNH2OPRM1OPRD1
Hydrochloric Acid SCHEMBL30028803 0.81 ALDH1A1 (0.52) OPRK1KCNH2OPRM1L3MBTL1KMT2A
SCHEMBL11095893 0.80 TSHR (0.44) OPRK1KCNH2OPRM1
SCHEMBL8809184 0.79 DRD2 (0.61)
Hydrochloric Acid SCHEMBL9536536 0.78 DRD2 (0.60)
SCHEMBL9631914 0.77 BCHE (0.54) L3MBTL1
SCHEMBL8912103 0.77 L3MBTL1 (0.56) OPRK1L3MBTL1KMT2AUSP2
SCHEMBL15934617 0.76 OPRK1 (0.48) OPRK1KCNH2OPRM1

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
US-5561149-A FOR NASAL ADMINISTRATION SANDOZ LTD. (CH) 1996-10-01 US disclosed
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