SCHEMBL8906002

SCHEMBL8906002

CC(C)(C)N(Cc1ccccc1)C(=O)CCl

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.69
KMT2A Q03164 5/20 0.69
HTT P42858 3/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
ALDH1A1 P00352 5/20 0.56
PAX8 Q06710 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GLA P06280 1/20 0.56
LMNA P02545 4/20 0.52
TDP1 Q9NUW8 2/20 0.51
JAK2 O60674 1/20 0.49
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL21193581 0.85 RAB9A (0.51) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL8773482 0.83 MEN1 (0.69) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL8904883 0.83 MEN1 (0.69) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL26939090 0.81 MEN1 (0.67) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL17885994 0.81 MEN1 (0.67) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL12536455 0.80 MEN1 (0.65) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL20424232 0.80 NPC1 (0.49) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL30453104 0.79 KMT2A (0.44) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL29213509 0.78 RIPK1 (0.50) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL7113805 0.77 LMNA (0.70) MEN1KMT2AHTTL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116425666-A Preparation method of spirolactam cyclohexadiene compound 华南理工大学 2023-07-14 CN disclosed
US-5618808-A Benzothiazepine and benzoxazepine derivatives as cholecystokinin receptor antagonists PFIZER, INC. (US) 1997-04-08 US disclosed
EP-0648213-A1 BENZOTHIAZEPINE AND BENZOXAZEPINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS PFIZER INC. (US) 1995-04-19 EP disclosed
WO-1994001421-A1 BENZOTHIAZEPINE AND BENZOXAZEPINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS PFIZER INC. (US) 1994-01-20 WO disclosed
US-4017631-A MICROBIOCIDES JANSSEN PHARMACEUTICA N.V. (BE) 1977-04-12 US disclosed