SCHEMBL21966086

SCHEMBL21966086

C=CCCC1CCN([C@@H](C)c2ccccc2)[C@@]1(C)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.36
OPRL1 P41146 1/20 0.35
FAAH O00519 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
MRGPRX1 Q96LB2 1/20 0.34
CHRM4 P08173 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 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
SCHEMBL10126868 0.70 OPRD1 (0.37) OPRD1FAAHALDH1A1CYP3A4MEN1
SCHEMBL12018912 0.70 OPRD1 (0.37) OPRD1FAAHALDH1A1CYP3A4MEN1
SCHEMBL7089368 0.68 ALDH1A1 (0.39) OPRD1OPRL1ALDH1A1MEN1KMT2A
SCHEMBL31367138 0.65 ELANE (0.48) ALDH1A1CYP3A4KDM4EMEN1MAPT
SCHEMBL1357343 0.65 ALDH1A1 (0.43) OPRD1ALDH1A1CYP3A4KDM4EMEN1
SCHEMBL21359992 0.63 ELANE (0.31) FAAHALDH1A1CYP3A4KDM4EMEN1
SCHEMBL3974883 0.61 KMT2A (0.45) OPRL1ALDH1A1CYP3A4MEN1MAPT
SCHEMBL7672426 0.61 NR3C2 (0.37) OPRL1FAAHALDH1A1CYP3A4KDM4E
SCHEMBL28219758 0.61 CYP2D6 (0.47) OPRD1OPRL1ALDH1A1CYP2D6
SCHEMBL12018913 0.60 RAB9A (0.36) ALDH1A1CYP3A4MEN1MAPTTSHR

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-2296650-B1 IMMUNOMODULATION BY IAP INHIBITORS NOVARTIS AG (CH) 2020-05-06 EP disclosed