SCHEMBL7834022

SCHEMBL7834022

CN1C(=O)CCC(c2ccccc2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
SRD5A1 P18405 1/20 0.46
BRD4 O60885 1/20 0.44
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
EEF2K O00418 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL4989074 0.84 TSHR (0.65) TSHRKMT2ABRD4EEF2KSLC6A2
SCHEMBL30746803 0.84 TSHR (0.65) TSHRKMT2ABRD4EEF2KSLC6A2
SCHEMBL9800237 0.80 KMT2A (0.69) TSHRKMT2ASRD5A1BRD4DDB1
SCHEMBL14075302 0.79 NOTUM (0.42) SRD5A1BRD4SLC6A2SLC6A4
SCHEMBL19953763 0.77 HDAC4 (0.42) KMT2ASRD5A1BRD4
SCHEMBL31092699 0.74 KMT2A (0.51) TSHRKMT2ABRD4EEF2KSLC6A2
SCHEMBL29960634 0.74 SRD5A1 (0.38) KMT2ASRD5A1BRD4SLC6A2SLC6A4
SCHEMBL29249863 0.74 KMT2A (0.51) TSHRKMT2ABRD4EEF2KSLC6A2
SCHEMBL6301387 0.73 TSHR (0.46) TSHRKMT2AEEF2KSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL29960427 0.73 SRD5A1 (0.38) SRD5A1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089977-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 2001-04-11 EP disclosed
WO-1999067219-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO disclosed