SCHEMBL8543196

SCHEMBL8543196

O=C(NCc1ccccn1)[C@@H]1CCCN1CC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.62
ALDH1A1 P00352 3/20 0.53
P2RX7 Q99572 1/20 0.52
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
AADAT Q8N5Z0 1/20 0.44

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
SCHEMBL8544266 0.85 HPGD (0.54) HSD11B1ALDH1A1P2RX7PKMSMN1; SMN2
SCHEMBL8549494 0.83 ALDH1A1 (0.56) HSD11B1ALDH1A1P2RX7PKMSMN1; SMN2
SCHEMBL8548918 0.82 HSD11B1 (0.54) HSD11B1ALDH1A1P2RX7KDM4ELMNA
SCHEMBL8543192 0.82 HSD11B1 (0.54) HSD11B1ALDH1A1P2RX7KDM4ELMNA
SCHEMBL8543051 0.79 RAB9A (0.56) ALDH1A1LMNASMN1; SMN2TSHRKMT2A
SCHEMBL8549705 0.77 PKM (0.54) ALDH1A1PKMSMN1; SMN2MEN1KMT2A
SCHEMBL8544257 0.76 HSD11B1 (0.46) HSD11B1ALDH1A1P2RX7KDM4ELMNA
SCHEMBL8544264 0.76 HSD11B1 (0.46) HSD11B1ALDH1A1P2RX7KDM4ELMNA
SCHEMBL8549491 0.75 KMT2A (0.47) HSD11B1ALDH1A1KDM4ELMNAHTT
SCHEMBL8549484 0.75 KMT2A (0.47) HSD11B1ALDH1A1KDM4ELMNAHTT

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-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP claimed
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP disclosed