SCHEMBL8342144

SCHEMBL8342144

CN1C(=O)[C@@H](N)C(c2ccccc2)OC[C@H]1c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.37
ATM Q13315 1/20 0.37
HTR1A P08908 1/20 0.36
CHRNA7 P36544 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
BRD4 O60885 3/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CHRM2 P08172 3/20 0.34
CHRM4 P08173 3/20 0.34
CHRM5 P08912 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34

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
SCHEMBL14260865 1.00 TSHR (0.37) TSHRKMT2AALDH1A1ATMHTR1A
Hydrochloric Acid SCHEMBL3346789 0.98 TSHR (0.36) TSHRKMT2AALDH1A1ATMHTR1A
Hydrochloric Acid SCHEMBL6208335 0.98 TSHR (0.36) TSHRKMT2AALDH1A1ATMHTR1A
SCHEMBL3340919 0.82 TSHR (0.37) TSHRKMT2AALDH1A1ATMHTR1A
SCHEMBL14367234 0.82 TSHR (0.37) TSHRKMT2AALDH1A1ATMHTR1A
SCHEMBL14260863 0.75 ALDH1A1 (0.33) TSHRKMT2AALDH1A1ATMHTR1A
SCHEMBL14260864 0.72 ALDH1A1 (0.33) TSHRKMT2AALDH1A1ATM
SCHEMBL14367235 0.72 ALDH1A1 (0.33) TSHRKMT2AALDH1A1ATM
SCHEMBL3343313 0.72 HSD17B10 (0.50) TSHRKMT2AALDH1A1ADRA1AHTR2B
SCHEMBL3346896 0.72 HSD17B10 (0.50) TSHRKMT2AALDH1A1ADRA1AHTR2B

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
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 WO disclosed