SCHEMBL11325713

SCHEMBL11325713

CC(=O)N1CCCc2ccc(S(C)(=O)=O)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
HRH3 Q9Y5N1 1/20 0.46
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PNMT P11086 1/20 0.44
TP53 P04637 1/20 0.44
RIPK1 Q13546 1/20 0.43
USP30 Q70CQ3 1/20 0.42
MCHR1 Q99705 1/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
RAB9A P51151 1/20 0.41
NLRP3 Q96P20 1/20 0.41
LMNA P02545 4/20 0.41
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL11478363 0.92 NOTUM (0.58) NOTUMHRH3SMN1; SMN2PNMTLMNA
SCHEMBL11322167 0.88 NOTUM (0.47) NOTUMHRH3ALDH1A1SMN1; SMN2TP53
SCHEMBL11336330 0.88 CA1 (0.56) NOTUMHRH3ALDH1A1SMN1; SMN2PNMT
SCHEMBL21729633 0.85 NOTUM (0.55) NOTUMPNMTUSP30
SCHEMBL11324820 0.84 PNMT (0.47) NOTUMHRH3ALDH1A1SMN1; SMN2PNMT
SCHEMBL11550415 0.84 NOTUM (0.43) NOTUMHRH3ALDH1A1SMN1; SMN2TP53
SCHEMBL4035842 0.82 PNMT (0.49) NOTUMHRH3ALDH1A1SMN1; SMN2PNMT
SCHEMBL12013933 0.80 NOTUM (0.53) NOTUMHRH3ALDH1A1RIPK1MCHR1
SCHEMBL1074701 0.79 NOTUM (0.56) NOTUMHRH3ALDH1A1SMN1; SMN2MCHR1
SCHEMBL11327160 0.78 NR1H2 (0.56) NOTUMHRH3RIPK1MCHR1BRD4

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-0002624-B1 2-BENZAZEPINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1981-10-14 EP disclosed
EP-0002624-A1 2-Benzazepine compounds, processes for their preparation and pharmaceutical compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1979-06-27 EP disclosed