SCHEMBL1025314

SCHEMBL1025314

CC(C)(O)CN1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(N)cc1F)C2.CC(C)(O)CN1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])cc1F)C2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.43
OPRM1 P35372 3/20 0.43
KCNH2 Q12809 3/20 0.43
POLB P06746 1/20 0.39
S1PR4 O95977 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
MITF O75030 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
CYP19A1 P11511 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL1025315 1.00 OPRK1 (0.43) OPRK1OPRM1KCNH2POLBS1PR4
SCHEMBL1022406 0.94 OPRM1 (0.45) OPRK1OPRM1KCNH2POLBS1PR4
SCHEMBL1022409 0.94 OPRM1 (0.45) OPRK1OPRM1KCNH2POLBS1PR4
SCHEMBL1022408 0.94 OPRM1 (0.45) OPRK1OPRM1KCNH2POLBS1PR4
SCHEMBL4114703 0.89 OPRK1 (0.48) OPRK1OPRM1KCNH2SLC6A2SLC6A3
SCHEMBL4114710 0.89 OPRK1 (0.48) OPRK1OPRM1KCNH2SLC6A2SLC6A3
SCHEMBL4114706 0.89 OPRK1 (0.48) OPRK1OPRM1KCNH2SLC6A2SLC6A3
SCHEMBL1025316 0.87 OPRK1 (0.38) OPRK1OPRM1KCNH2POLBS1PR4
SCHEMBL1021553 0.80 POLB (0.53) OPRK1OPRM1KCNH2POLBS1PR4
SCHEMBL1021554 0.80 POLB (0.53) OPRK1OPRM1KCNH2POLBS1PR4

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
EP-1987006-B1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI AVENTIS (FR) 2011-01-12 EP disclosed