SCHEMBL8195038

SCHEMBL8195038

CCN(CC)C(=O)C1(c2ccccc2)CCN(CC(O)c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.50
GAA P10253 1/20 0.49
OPRD1 P41143 4/20 0.48
OPRK1 P41145 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
KCNA3 P22001 2/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.45
GRIN2B Q13224 1/20 0.43
PKM P14618 1/20 0.42

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
Oxpheneridine SCHEMBL2110574 0.81 OPRM1 (0.73) OPRM1OPRD1OPRK1KDM4EALDH1A1
SCHEMBL157791 0.79 SLC6A4 (0.54) OPRM1KDM4E
SCHEMBL8216333 0.78 OPRM1 (0.67) OPRM1OPRD1OPRK1KCNA3
SCHEMBL8188817 0.78 OPRM1 (0.52) OPRM1OPRD1OPRK1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL27797653 0.77 SLC6A2 (0.55) OPRM1KDM4EALDH1A1
SCHEMBL15776154 0.76 AKR1C1 (0.53) KDM4EALDH1A1
Propionic Acid SCHEMBL9328573 0.73 GAA (0.71) OPRM1GAAOPRD1KDM4EALDH1A1
SCHEMBL24726709 0.73 OPRM1 (0.53) OPRM1GAAOPRD1OPRK1KDM4E
Acetic Acid SCHEMBL9325415 0.73 GAA (0.75) OPRM1GAAOPRD1KDM4EALDH1A1
SCHEMBL7305346 0.72 OPRM1 (0.61) OPRM1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743940-B1 NEW COMPOUNDS WITH ANALGESIC AND LOCAL ANAESTHETIC EFFECT ASTRA AB (SE) 2000-05-03 EP disclosed
US-5968953-A FOR SIDE EFFECT REDUCTION ASTRA AB (SE) 1999-10-19 US disclosed
US-5756520-A N-SUBSTITUTED 4-PHENYL-4-CARBOXAMIDE-PIPERIDINE COMPOUNDS ARE ADMINISTERED EPIDURALLY OR INTRATHECALLY FOR CONTROLLING NERVE BLOCKADE IN HUMANS ASTRA AB (SE) 1998-05-26 US disclosed
EP-0743940-A1 NEW COMPOUNDS WITH ANALGESIC AND LOCAL ANAESTHETIC EFFECT Astra Aktiebolag (SE) 1996-11-27 EP disclosed
WO-1995021821-A1 NEW COMPOUNDS WITH ANALGESIC AND LOCAL ANAESTHETIC EFFECT ASTRA AKTIEBOLAG (SE) 1995-08-17 WO disclosed