SCHEMBL6176776

SCHEMBL6176776

Nc1ccccc1N(CCC(=O)O)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC3 O15379 7/20 0.36
HDAC1 Q13547 7/20 0.36
HDAC2 Q92769 6/20 0.36
HDAC4 P56524 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC10 Q969S8 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC9 Q9UKV0 3/20 0.36
HDAC5 Q9UQL6 3/20 0.36
NCOR2 Q9Y618 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
CXCL8 P10145 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL6178703 0.83 MTNR1A (0.42) KMT2AHDAC3HDAC1HDAC2HDAC4
SCHEMBL6178005 0.74 ALDH1A1 (0.39) ALDH1A1
SCHEMBL28985641 0.70 CARM1 (0.41) MEN1ALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL22965167 0.70 HDAC3 (0.42) ALDH1A1HDAC3HDAC1HDAC2HDAC4
SCHEMBL2482541 0.69 SCN9A (0.41) MEN1ALDH1A1KMT2ACXCL8
Succinic Acid SCHEMBL6544851 0.68 NR4A2 (0.56) ALDH1A1HDAC3HDAC1HDAC2HDAC4
Hydrochloric Acid SCHEMBL2485776 0.68 SCN9A (0.41) MEN1ALDH1A1KMT2ACXCL8
SCHEMBL9780039 0.67 KEAP1 (0.42) MEN1ALDH1A1KMT2ACXCL8FFAR1
SCHEMBL6219701 0.67 MTNR1A (0.58) MEN1KMT2AHDAC3HDAC1HDAC2
Chloroacetic Acid SCHEMBL11869661 0.66 ALDH1A1 (0.42) ALDH1A1KMT2AHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945445-B9 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2005-12-28 EP disclosed
EP-0945445-B1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2003-09-03 EP disclosed
US-6239131-B1 WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-05-29 US disclosed
EP-0945445-A1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed